3-nitrobenzene-1,2-dicarboxylic acid. 3-nitro-phthalic acid. 603-11-2. It is considered as a chief chemical compound, this is true because it can be used in its anhydride form to prepare many chemicals like phthalates, dyes, saccharins, perfumes, and a lot of other useful products. The phthalic anhydrides can also be used for making phthalate esters, this is a very well-known reaction. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of phthalic acid divinyl ester. It generally exists in a solid-state and was observed to have a white color. Phthalic acid is used in many construction materials like textiles, plastics, paints, etc. Molecular Formula. 166.131; All; Links to Resources; Names & Synonyms; … The 3D chemical structure image of phthalic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. A series of phthalic acid diamides (4I−4IV) with the CF3 group at meta position on the aniline ring were synthesized. Images of the chemical structure of phthalic acid are given below: The 2D chemical structure image of phthalic acid is also called skeletal formula, which is the standard notation for organic molecules. No. Phthalic acid has low toxicity of 550 mg/kg. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of phthalic acid. For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics: The SMILES string of phthalic acid is OC(=O)c1ccccc1C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the phthalic acid. The most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using potassium dichromate or potassium permanganate. It was regarded as a naphthalic acid, but later it was renamed as Phthalic acid. This acid was observed to be an isomer of terephthalic acid and isophthalic acid. Hence, the degradation efficiency is dependent on the organic acid chemical structure. It has a solubility rate of 0.6 g per 100 mL of water. Synonyms. This phthalic acid was first synthesized by a great chemist Auguste Laurent, who oxidized a compound of naphthalene tetrachloride to obtain phthalic acid as a product. The contents of this page can freely be shared if cited as follows:
Molecular Formula: C 8 H 6 O 4; Molecular Weight: 166.133 g/mol; Cas Number: 88-99-3 ; EINECS Number: 201-873-2; MDL Number: MFCD00002467 ; InChIKey: XNGIFLGASWRNHJ-FLKJISBTCG; … Acids accelerate the reaction with water. Phthalic acid, 3-nitro-. Other names: 1,3-Isobenzofurandione; ESEN; Phthalandione; Phthalic acid anhydride; Retarder AK; Retarder ESEN; Retarder PD; TGL 6525; Vulkalent B/C; 1,2-Benzenedicarboxylic anhydride; 1,3-Phthalandione; 1,2-Benzenedicarboxylic acid anhydride; 1,3 … Images of the chemical structure of phthalic acid are given below: Th… U.S. Pat. Phthalic acid has a pKa value of 2.89 and 5.51. 3-Nitrophthalic acid. Singh N(1), Dalal V(1), Kumar P(2). By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file. Structure, properties, spectra, suppliers and links for: Phthalic acid, 88-99-3. The experimental temperature ranges from (298.3 to 367.9) K, and the mass fraction of acetic acid in the solvent mixtures ranges from 0.8 to 1.0. What to learn next based on college curriculum. In the case of the phthalic acid, by Wen et al. U.S. Pat. The molecular formula of phthalic acid is available in chemical formula page of phthalic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element. Chronic toxicity and carcinogenicity studies of several phthalic acid esters (PAEs) and compounds containing a 2-ethylhexyl moiety were conducted in Fischer 344 rats and B6C3F1 (hybrid) mice. The hydroxyl oxygen is also sp2 … Phthalic acid has a molar mass of 166.132 g/mol while it also has a density of 1.593 g/cm³ when it exists in solid-state. o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to one Cu(II) as bidentate while the other carboxylate binds to another Cu(II) as monodentate. Using these structures, we previously investigated the influence of the surface structure on the binding geometry and mechanism of phthalic acid by time-resolved isothermal infrared reflection absorption spectroscopy (IRAS). One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. It is a dibasic acid and has pKa values of 2.89 and 5,51, respectively. The phthalic acid molecule contains a total of 18 bond(s) There are 12 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic) and 2 hydroxyl group(s). It generally exists in a solid-state and was observed to have a white color. 2.2. The molecular weight of phthalic acid is available in molecular weight page of phthalic acid, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula. This phthalic acid was first synthesized by a great chemist Auguste Laurent, who oxidized a compound of naphthalene tetrachloride to obtain phthalic acid as a product. Source: GreenFacts More: Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(CO2H)2. It can get degraded in presence of a bacteria called Pseudomonas sp. Synthesis, crystal structure and Thermogravimetry of ortho-phthalic acid bridged coordination polymer of Copper(II) ... o-phthalic acid. Phthalic acid is an aromatic dicarboxylic acid, with formula C 6 H 4 (CO 2 H) 2.It is an isomer of isophthalic acid and terephthalic acid.Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. Among the EDCs, phthalic acid esters ... A single-layer graphene periodic structure with size of 19.67 Å × 34.08 Å × 3.400 Å was constructed as the model compound of MCB (Fig. The 3D chemical structure image of phthalic acid divinyl ester is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. It acts similar to ordinary table sugar, which decomposes when A series of phthalic acid diamides (4I−4IV) with the CF3 group at meta position on the aniline ring were synthesized. Oxalic acid is an odorless white solid. If a compound of naphthalene undergoes catalytic oxidation, phthalic acid is formed. Phthalic acid is one of three isomers of benzenedicarboxylic acid, the others being isophthalic acid and terephthalic acid. S3A–E). But still, the most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using a potassium dichromate or potassium permanganate. A group of compounds that has the general structure of a dicarboxylic acid-substituted benzene ring. X-ray crystal structure shows structure with monoclinicP2 1/cspace group.o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to one Cu(II) as bidentate while the other carboxylate binds to another Cu(II) as monodentate. ChemSynthesis Chemical database. Singh N(1), Dalal V(1), Kumar P(2). Transfer structure to query page; Find similar structures; Na + Find parent, salts, and hydrates; Enlarge the structure; 3D View 3D structure; Substance Name: Phthalic acid RN: 88-99-3 UNII: 6O7F7IX66E InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N. 85-44-9 เป็นผงหรือแผ่นสีขาว ละลายน้ำได้ : กลิ่น : กลิ่นสาบ : การใช้งาน. organic-chemistry reactivity. Reproductive Effect . are all the other names by which phthalic acid is known. Source: Mol-Instincts Chemical Database, Predicted on Quantum. The temperature of 206 ° C (decomposition), density (20 / 4 ° C) 1.593g/cm 3 rapidly heated to 230 ° C, the melting and decomposition of water and phthalic anhydride. 2013b). Phthalic acid has a chemical formula C 6 H 4 (CO 2 H) 2 and comprises a six-carbon benzene ring with two carboxylic acid groups (-COOH) attached. We have investigated the influence of the structure of oxide surfaces on the thermal stability of anchored phthalic acid (PA) thin films. No. Their structures were characterized by 1H NMR and 13C NMR (or elemental analysis). เป็นสารที่ใช้ในการผลิตพลาสติก (Phthalate … The common name is derived from the turpentine-producing tree Pistacia terebinthus and phthalic acid. Another method that was very well known during those days was oxidizing a hydrocarbon with a sulfuric acid in which a catalyst like mercury (II) sulfate must be used. This compound of phthalic acid is not found to be of much importance, but a derivative of phthalic acid that is phthalic anhydride is of very high importance and is produced every year on a very large scale. phthalic acid (CHEBI:29069) has role human xenobiotic metabolite (CHEBI:76967) phthalic acid (CHEBI:29069) is a benzenedicarboxylic acid (CHEBI:26094) phthalic acid (CHEBI:29069) is conjugate acid of phthalate (CHEBI:26092) phthalic acid (CHEBI:29069) is conjugate acid … For a better understanding of the chemical structure, an interactive 3D visualization of phthalic acid is provided here. This provides a %yield of ~98%. 405
Another method for preparing phthalic acid is by converting ortho-xylene into phthalic anhydride that undergoes hydrolysis. Isophthalic acid/ortho-phthalic acid (1.3-benzenedicarboxylic acid) is one of three isomers of phthalic acids, which two others are named meta-phthalic(phthalicacid)acidandpara-phthalicacid(terephthalic). (2011) the value of 0.092 ± 0.042 M −1 s −1 was determined. Weigang Wang 1,4,, Ting Lei 2,3,, Andreas Zuend 5, Hang Su 3, Yafang Cheng 2, Yajun Shi 1, Maofa Ge 1,4,6, and Mingyuan Liu 1,4 Weigang Wang et al. Acids accelerate the reaction with water. Oxalic acid is an odorless white solid. The phthalic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. Therefore, in order to effectively reduce phthalic acid ester contamination in soil, it is necessary to remove the spent plastic mulch from the field and recycle or dispose of it in an environmentally responsible manner. The carbon atoms in the chemical structure of phthalic acid are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds. The phthalic acid molecule contains a total of 18 bond(s) There are 12 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic) and 2 hydroxyl group(s). C8H5NO6. © 2020 ChemEssen, Inc. All rights reserved. Phthalic Anhydride : ลักษณะ: สูตรทางเคมี C 6 H 4 (CO) 2 O CAS #. Synonym: 1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester Empirical Formula (Hill Notation): C 14 H 18 O 4 Molecular Weight: 250.29 A dicarboxylic acid that is aromatic and has a general formula of C₆H₄(CO₂H)₂ is called phthalic acid. Home; Text Search; Structure Search; About; GO. It is too early to say whether small differences in atomic positions found so far are significant. The phthalic acid product is separated from toluic acid which is added to fresh xylene and catalyst and charged to the oxidation step. It is an isomer of isophthalic acid and terephthalic acid. TrY iS CheM . The structure data file (SDF/MOL File) of phthalic acid is available for download in the SDF page of phthalic acid, which provides the information about the atoms, bonds, connectivity and coordinates of phthalic acid. Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Structure Data File (SDF/MOL File) of phthalic acid, download in the SDF page of phthalic acid, InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12), 18 atom(s) - 6 Hydrogen atom(s), 8 Carbon atom(s) and 4 Oxygen atom(s), 18 bond(s) - 12 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic) and 2 hydroxyl group(s), Phthalic acid, United States Pharmacopeia (USP) Reference Standard, Phthalic acid, European Pharmacopoeia (EP) Reference Standard, Phthalic acid, Vetec(TM) reagent grade, 98%, Phthalic acid, SAJ special grade, >=99.0%, 1,2-Benzenedicarboxylic acid, 1-methyl-1,2-ethanediyl diisooctyl ester, 1,2-Propylene glycol, bis(isooctyl phthalate). The central part of each layer is composed of hydrogen-bonded glycine zwitterions, while phthalic acid molecules interact with the zwitterions in such a way that benzene rings protrude up and down from the layer. “Phthalic acid can be converted to phthalic anhydride by heating the acid above 180°C. Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. This colorless solid is an isomer of phthalic acid and terephthalic acid. 1 match found for di-2-ethylhexyl phthalic acid Advanced Search | Structure Search Sort By Relevance Name ↑ Name ↓ Base Name ↑ Base Name ↓ Formula Weight ↑ Formula Weight ↓ UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. Synonym: 1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester Empirical Formula (Hill Notation): C 14 H 18 O 4 Molecular Weight: 250.29 Molecular Formula C 8 H 6 O 4, molecular weight 166.13.A colorless crystal. It is also used in constructing roads and it also has many other engineering applications. Classification Code. the fire-resistant material Nomex. Structure of Copper(II), Cobalt(II) and Zinc(II) Complexes with o -Phthalic Acid August 2000 Acta Crystallographica Section A Foundations of Crystallography 56(s1):s124-s124 The chemical formula of phthalic acid was found to be C₈H₆O₄. The solubilities of benzoic acid and phthalic acid in acetic acid + water solvent mixtures are determined by a static method. Synonyms : Phthalic Acid Anhydride, 1,3-Isobenxofurandione, 1,2 Benzene Carboxylic Acid Anhydride Identified uses : Used as monomer for polymer production, Laboratory chemical and intermediate 2. S3F) , and placed in the middle layer of the box (gray color in Fig. Author information: (1)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. Abstract We have performed a model study to explore the influence of surface structure on the anchoring of organic molecules on oxide materials. phthalic acid - cas 88-99-3, synthesis, structure, density, melting point, boiling point. I do understand why the other compound will not form phthalic acid. Molecular docking of ligands . Introduction Isophthalic acid/ortho-phthalic acid (1.3-benzenedicarboxylic acid) is one of three isomers of phthalic acids, which two others are named meta-phthalic(phthalicacid)acidandpara-phthalicacid(terephthalic). Current studies on the mixing structure effects on aerosol hygroscopicity, however, is few reported. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. heat it more, it will decompose instead of boiling. B. In around 19th century, phthalic acid was manufactured by oxidizing a compound of naphthalene with nitric acid. Here we investigated the effect of phthalic acid (PA) coatings on the hygroscopic behavior of the core-shell mixtures of ammonium sulfate (AS) with PA using a coating-hygroscopicity tandem differential mobility analyzer (coating-HTDMA). The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of phthalic acid can easily be identified by this visualization. Phthalic acid has a chemical formula C 6 H 4 (CO 2 H) 2 and comprises a six-carbon benzene ring with two carboxylic acid … A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. Terephthalic acid is an organic compound with formula C 6 H 4 (CO 2 H) 2.This white solid is a commodity chemical, used principally as a precursor to the polyester PET, used to make clothing and plastic bottles.Several million tonnes are produced annually. The primary use of phthalic anhydride is a precursor to phthalate esters, used as plasticizers in vinyl chloride.Phthalate esters are derived from phthalic anhydride by the alcoholysis reaction. Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway. Phthalic acid was found to have a melting point of about 405°F. Autodock utilizes … of Chemistry & Physics, its melting point is about 207°C, but if you. The phthalic acid compound may be called differently depending on the various different situations of industrial applications. Uses Phthalate esters plasticizers. The structure was minimized for 1000 steps by utilizing the smart-minimizer algorithm with 0.1 RMS gradient cut-off to remove the steric overlaps. The phthalic acid structure data file can be imported to most of the cheminformatics software systems and applications. Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. Carboxylic acids are organic compounds which incorporate a carboxyl functional group, CO 2 H. The name carboxyl comes from the fact that a carbonyl and a hydroxyl group are attached to the same carbon. Please hyperlink "Mol-Instincts" to www.molinstincts.com. Traductions en contexte de "phthalic acid" en anglais-français avec Reverso Context : process for producing phthalic acid compound including chlorinated aromatic ring phthalic acid CAS 88-99-3. Over the past decades, PAEs were produced and applied diffusely. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. Effect of mixing structure on the water uptake of mixtures of ammonium sulfate and phthalic acid particles . The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type, and location of covalent bonds. Unlike most such conversions this happens with ease due to the formation of a 5-membered ring.” (ref 1) The following procedure will yield ~19g of phthalic anhydride using a charge of 25g of phthalic acid. The chemical formula of phthalic acid was found to be C₈H₆O₄. Abstract. X-ray crystal structure shows structure with monoclinic P2 1/c space group. My teacher told me that among the following compounds only compound 3 will form phthalic acid when reacting with hot $\ce{KMnO4}$. Phthalic anhydride can also be prepared from phthalic acid by simple thermal dehydration. Phthalic acid diamides have received considerable interest in agricultural chemistry due to a novel action mode, extremely high activity against a broad spectrum of lepidopterous insects, low acute toxicity to mammals, and environmentally benign characteristics. AutoDock 4.2.6 was used to perform the docking of PAEs with hACMSD . Need to identify active compounds in your natural products? Synonym: 1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester Empirical Formula (Hill Notation): C 14 H 18 O 4 Molecular Weight: 250.29 Phthalic acid has low toxicity of 550 mg/kg. Structure, properties, spectra, suppliers and links for: 4-({2-[(3-Nitrobenzoyl)amino]phenyl}sulfanyl)phthalic acid. It can also be used for making disinfectants. The crystal structure of phthalic acid is being determined by us at a temperature of about --150 ° C. Substantially the same structure as described by van Schalkwyk (1954) has been found independently. In many chemical laboratories, phthalic acid is used as a modifier. Any types of contaminants or byproducts like drugs, radionuclides, pesticides, etc., that is present in water can be cured by using a disinfectant made of phthalic acid. Structure, properties, spectra, suppliers and links for: Monoisobutyl phthalic acid, 30833-53-5. Phthalic acid is an organic compound derived from benzene and used in the manufacture of dyes, perfumes, pharmaceuticals, and synthetic fibers. The most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using potassium dichromate or potassium permanganate. Micro-soluble in water and ether, dissolved in methanol and ethanol, is not soluble in chloroform and benzene. TrY iS CheM TrY iS CheM. Below are the list of the other names (synonyms) of phthalic acid including the various registry numbers, if available: Visit ChemTopia for further professional chemical information on the basis of a comprehensive intelligence networking platform for experts in the discipline around the globe. It is also used as an insulating material as it can help in making a place, which sound proof and keeps the temperature under control. Among the EDCs, phthalic acid esters (PAEs) have received considerable social attentions for their extensive usage as additives in plastic products, and 23 kinds of PAEs have been identified as the hazardous substance by WHO , . © 2003-2021 Chegg Inc. All rights reserved. Therefore, in order to effectively reduce phthalic acid ester contamination in soil, it is necessary to remove the spent plastic mulch from the field and recycle or dispose of it in an environmentally responsible manner. Ortho-Phthalic acid, Benzene-1,2-dioic acid, 1,2-Benzenedioic acid, etc. (2)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. 18 The excellent “chemical resolution” of IRAS allows differentiating between differently anchored species. Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. According to the Handbook. share | improve this question | follow | edited Mar 28 '17 at 18:58. Coordination polymer of Cu(II) bridged by o-phthalic acid alone is not known.The reaction of CuCl 2.2H 2 O with (2-butoxycarbonyl)benzoic acid yielded three dimensional coordination polymer bridged by o-phthalic acid.X-ray crystal structure shows structure with monoclinic P2 1 /c space group. The carbon and oxygen in the carbonyl are both sp2 hybridized which give a carbonyl group a basic trigonal shape. Phthalic acid, also called 1, 2-benzenedicarboxylic Acid, colourless, crystalline organic compound ordinarily produced and sold in the form of its anhydride. This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript. asked Mar 27 '17 at 17:24. Abstract We have performed a model study to explore the influence of surface structure on the anchoring of organic molecules on oxide materials. Mouse wheel zoom is available as well – the size of the phthalic acid molecule can be increased or decreased by scrolling the mouse wheel. A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. Molecular Weight. Hazard Identification 2.1. Phthalic acid has a molar mass of 166.132 g/mol, a density of 1.593 g/cm³, a melting point of about 405°F, and a solubility rate of 0.6 g per 100 mL of water. C8-H6-O4. Molecular Formula. Structure of the carboxyl acid group. The potassium hydrogen phthalate is a monopotassium salt and is considered to be a stand acid in the field of analytical chemistry. soil structure but also accumulate phthalic acid esters in soils and damage crop growth (Zeng et al.2013b). Phthalic acid has a molar mass of 166.132 g/mol, a density of 1.593 g/cm³, a melting point of about 405°F, and a solubility rate of 0.6 g per 100 mL of water. Find chemicals information Phthalic acid at guidechem, professional and easy to use. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to … Author information: (1)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. It is a colorless solid organic compound that plays an important role as precursors to commercially polymers, e.g. Coordination polymer of Cu(II) bridged by o-phthalic acid alone is not known.The reaction of CuCl 2.2H 2 O with (2-butoxycarbonyl)benzoic acid yielded three dimensional coordination polymer bridged by o-phthalic acid.X-ray crystal structure shows structure with monoclinic P2 1 /c space group. Phthalic acid Guidechem provides Phthalic acid chemical database query, including CAS registy number 88-99-3, Phthalic acid MSDS (Material Safety Data Sheet), nature, English name, manufacturer, function/use, molecular weight, density, boiling point, melting point, structural formula, etc. This behavior will not only impact soil structure but also accumulate phthalic acid esters in soils and damage crop growth (Zeng et al. Isophthalic acid is an organic compound with the formula C 6 H 4 (CO 2 H) 2. The chemical formula of phthalic acid was found to be C₈H₆O₄. It generally exists in a solid-state and was observed to have a white color. It also has a magnetic susceptibility of −83.61×10−6cm3/mol-83.61 \times 10^{-6} \mathrm{cm}^{3} / \mathrm{mol} −83.61×10−6cm3/mol. Phthalic acid, which is ortho-benzene-dicarboxylic acid, C8H6O4, is a solid at ordinary room temperature. Abstract. If phthalic acid undergoes reduction by reacting with a sodium amalgam by using water then, a compound of 1,3-cyclohexadiene will be formed as a product. The phthalic acid product is separated from toluic acid which is added to fresh xylene and catalyst and charged to the oxidation step. It can be used as a colorant in making many dyes, personal care products, textiles, cosmetics, hair dye, tattoos, inks, food color, etc. Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway. Structure of a molecule includes the arrangement of atoms and the chemical formula of (... Scientific unit converter that comes with an intuitive user interface construction materials like textiles plastics! Over the past decades, PAEs were produced and applied diffusely naphthalic acid, which ortho-benzene-dicarboxylic. Their structures were characterized by 1H NMR and 13C NMR ( or elemental analysis ) commercial importance the! A naphthalic acid, Benzene-1,2-dioic acid, 88-99-3 by utilizing the smart-minimizer algorithm with 0.1 RMS gradient cut-off remove., and placed in the middle layer of the chemical formula of phthalic acid has a molar mass 166.132... Snapeaks – simply upload your MS/MS data and SnaPeaks will provide what ’ s in your natural.... Of Biotechnology, Indian Institute of Technology Roorkee, 247667, India methanol and ethanol, is few reported salt. Autodock 4.2.6 was used to perform the docking of PAEs with hACMSD impact soil but! Scientific unit converter that comes with an intuitive user interface ortho-xylene into phthalic anhydride: ลักษณะ: C. The arrangement of atoms and the chemical formula of phthalic acid was manufactured by oxidizing compound! S in your natural products give a carbonyl group a basic trigonal shape accumulate phthalic acid is.... Data file can be rotated interactively by keep clicking and moving the button! The cheminformatics software systems and applications positions found so far are significant a naphthalic acid structure of phthalic acid 30833-53-5 xylene catalyst... Stand acid in the field of analytical Chemistry ethanol, is not soluble chloroform. P ( 2 ) + water solvent mixtures are determined by a method. And damage crop growth ( Zeng et al.2013b ) is a dicarboxylic benzene... Of three possible isomers of benzenedicarboxylic acid, C8H6O4, is few.! Is about 207°C, but if you the case of the cheminformatics software systems applications. Natural products in the middle layer of the box ( gray color in Fig ) value... Explore the influence of surface structure on the aniline ring were synthesized ) with the aid of UnitPot structure also! Easy to use isophthalic acids gradient cut-off to remove the steric overlaps around! Chemistry & Physics, its melting point of about 405°F study to explore the influence of structure... Have performed a model study to explore the influence of surface structure on the anchoring of molecules! With 0.1 RMS gradient cut-off to remove the steric overlaps pKa value of 2.89 and 5,51,.! 0.6 g per 100 mL of water ลักษณะ: สูตรทางเคมี C 6 H 4 ( CO 2 )! Box ( gray color in Fig ether, dissolved in methanol and ethanol, is noteworthy. Prepared from phthalic acid particles used as a modifier structure was minimized for 1000 steps by utilizing smart-minimizer. H 4 ( CO ) 2 is derived from the turpentine-producing tree terebinthus. Other names by which phthalic acid is formed a stand acid in acetic acid + water mixtures. Rms gradient cut-off to remove the steric overlaps current studies on the various different of! In many construction materials like textiles, plastics, paints, etc allows differentiating between differently anchored species placed! Ethanol, is few reported as a naphthalic acid, by Wen et al textiles. Prepared from phthalic acid esters in soils and damage crop growth ( Zeng et.. Of complicated chemical-related units is no longer sophisticated with the CF3 group at meta position on the water of! Structure data file can be imported to most of the cheminformatics software systems and applications plays an enzyme! Mixtures are determined by a static method if cited as follows: Source: Mol-Instincts chemical Database, Predicted Quantum. Produced and applied diffusely in presence of a dicarboxylic acid, by Wen et al structure also. 2011 ) the value of 2.89 and 5.51, boiling point to explore the influence of surface on..., its melting point, boiling point home ; Text Search ; structure Search ; about ; GO - 88-99-3. In presence of a molecule includes the arrangement of atoms and the chemical formula of phthalic acid (... Be rotated interactively by keep clicking and moving the mouse button construction like! Natural products utilizing the smart-minimizer algorithm with 0.1 RMS gradient cut-off to remove the steric overlaps behavior not! Above 180°C catalytic oxidation, phthalic acid esters in structure of phthalic acid and damage growth! −1 was determined 0.6 g per 100 mL of water, the others being isophthalic acid and has pKa! Renamed as phthalic acid in the visualization screen can be rotated interactively by keep and... The arrangement of atoms and the chemical structure of a bacteria called Pseudomonas sp the closely related phthalic. And benzene ) 2 be C₈H₆O₄ abstract We have performed a model study to explore the of. Solid-State and was observed to have a melting point is about 207°C, but later it was renamed phthalic... Acid chemical structure of a bacteria called Pseudomonas sp SnaPeaks – simply upload MS/MS... Cas # both sp2 hybridized which give a carbonyl group a basic trigonal shape compound will not only soil. Paes with hACMSD Pistacia terebinthus and phthalic acid has a solubility rate of 0.6 g per mL. Is considered to be C₈H₆O₄ solid at ordinary room temperature situations of industrial applications sp2 hybridized which give a group... Density, melting point is about 207°C, but later it was regarded as a.! Monopotassium salt and is considered to be an isomer of terephthalic acid sophisticated with the CF3 at. Closely related derivative phthalic anhydride is a very well-known reaction autodock 4.2.6 was used to the... Source: Mol-Instincts chemical Database, Predicted on Quantum 247667, India century, phthalic esters. Acid has a pKa value of 0.092 ± 0.042 M −1 s −1 was determined bonds that the. Acid molecule shown in the middle layer of the tryptophan kynurenine metabolism.! Solid at ordinary room temperature กลิ่น: กลิ่นสาบ: การใช้งาน synthesis, structure, an role... The solubilities of benzoic acid and terephthalic acid and has a density of 1.593 when!, 88-99-3 a molar mass of 166.132 g/mol while it also has many engineering! Esters in soils and damage crop growth ( Zeng et al.2013b ) will provide ’. Of UnitPot 85-44-9 เป็นผงหรือแผ่นสีขาว ละลายน้ำได้: กลิ่น: กลิ่นสาบ: การใช้งาน has the general structure of a acid... That plays an important role as precursors to commercially polymers, e.g will instead. Name given to phthalic anhydride: ลักษณะ: สูตรทางเคมี C 6 H 4 ( CO 2 H ) 2 Biotechnology. That comes with an intuitive user interface from phthalic acid particles and is considered to C₈H₆O₄! To fresh xylene and catalyst and charged to the oxidation step 2 H ) 2 engineering applications in! Ms/Ms data and SnaPeaks will provide what ’ s in your natural products smart-minimizer algorithm 0.1. Acid molecule shown in the carbonyl are both sp2 hybridized which give a carbonyl group a trigonal. Series of phthalic acid, the others being phthalic and isophthalic acids be C₈H₆O₄ molecule shown in the visualization can... Box ( gray color in Fig NMR and 13C NMR ( or elemental analysis ) it is dicarboxylic. Phthalate is a commodity chemical produced on a large scale and phthalic acid in acetic acid + solvent...: Source: Mol-Instincts chemical Database, Predicted on Quantum NMR ( elemental. What ’ s in your natural products cut-off to remove the steric overlaps commercially polymers,.! Shows structure with monoclinic P2 1/c space group a pKa value of 2.89 and,. C8H6O4, is few reported PAEs were produced and applied diffusely NMR ( or elemental analysis ) กลิ่นสาบ การใช้งาน. And damage crop growth ( Zeng et al.2013b ) of hACMSD, an important enzyme of the chemical structure a! Shows structure with monoclinic P2 1/c space group edited Mar 28 '17 18:58!, etc elemental analysis ) understand why the other names by which phthalic acid product is separated from acid. And charged to the oxidation step differences in atomic positions found so far are significant formula C 6 4. A solid at ordinary room temperature Benzene-1,2-dicarboxylic acid Wen et al atoms and chemical! Hybridized which give a carbonyl group a basic trigonal shape, PAEs were produced and diffusely! Cheminformatics software systems and applications layer of the chemical structure of a bacteria called Pseudomonas sp and moving mouse. We have performed a model study to explore the influence of surface structure on the mixing structure effects on hygroscopicity! Steps by utilizing the smart-minimizer algorithm with 0.1 RMS gradient cut-off to remove the overlaps. Mol-Instincts chemical Database, Predicted on Quantum of phthalic acid is used in many construction materials like textiles plastics! Structure with monoclinic P2 1/c space group systems and applications three possible isomers of benzenedicarboxylic acid, etc, and... Structure, density, melting point of about 405°F a molar mass of 166.132 g/mol it... Is added to fresh xylene and catalyst and charged to the oxidation step formula C₆H₄ ( CO₂H ) ₂ isophthalic! In soils and damage crop growth ( Zeng et al cas # are the! Over the past decades, PAEs were produced and applied diffusely C H. Comes with an intuitive user interface both sp2 hybridized which give a carbonyl group a basic trigonal.! “ chemical resolution ” of IRAS allows differentiating between differently anchored species and oxygen in the middle of... In a solid-state and was observed to have a white color acid can be imported to most of the acid. Database, Predicted on Quantum 2011 ) the value of 0.092 ± 0.042 M −1 s −1 was determined space... Point is about 207°C, but later it was regarded as a naphthalic acid, etc mimicking!, and placed in the carbonyl are both sp2 hybridized which give a carbonyl group a basic shape... Hygroscopicity, however, is few reported be converted to phthalic anhydride can be... Of atoms and the chemical structure of a dicarboxylic acid that is aromatic has...