2,5-ジヒドロキシテレフタル酸 - ≥98%以上(HPLC) , CAS No.610-92-4

CAS: 610-92-4 Cat. No.: D134233 分子式: C₈H₆O₆ 分子量: 198.13 Beilstein Registry Number: 10(4)2284 EC番号: 210-239-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

2,5-Dihydroxyterephthalic Acid, 98+ Percent | AKOS015917236 | 1, 2,5-dihydroxy- | DTXSID30209867 | 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy- | BDBM50521008 | SY037076 | BCP15405 | EN300-154440 | 2,5-dihydroxyterephthalicacid | 2,5-Dihydroxyterephthalic

Storage

Room temperature

Shipped In

ノーマル

概要

商品概要：2,5-ジヒドロキシテレフタル酸(DHTA)は、臭素/硫酸を介したコハク酸ジエチルの芳香族化反応により調製される。

2,5-ジヒドロキシテレフタル酸(DHTA)は、臭素/硫酸を媒介としてコハク酸ジエチルを芳香族化し、次いで加水分解することにより調製される。

製品用途：DHTA
有機合成、農薬、医薬、染料分野の重要な原料中間体として使用される。

Specifications

同義語

2,5-Dihydroxyterephthalic Acid, 98+ Percent | AKOS015917236 | 1, 2,5-dihydroxy- | DTXSID30209867 | 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy- | BDBM50521008 | SY037076 | BCP15405 | EN300-154440 | 2,5-dihydroxyterephthalicacid | 2,5-Dihydroxyterephthalic

仕様と純度

≥98%以上(HPLC)

保管条件

Room temperature

入荷

ノーマル

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

488184227

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488184227

カノニカル・スマイル

C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O

IUPAC Name

2,5-dihydroxyterephthalic acid

InChIKey

OYFRNYNHAZOYNF-UHFFFAOYSA-N

INCHI

1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)

異性体SMILES

C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O

分子量

198.13

Beilstein

10(4)2284

Reaxy-Rn

2696052

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2696052&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Phthalic acid and derivatives
          • Level6 P-phthalic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Phthalic acid and derivatives
• Direct Parent: P-phthalic acid and derivatives
• Alternative Parents: Salicylic acids Benzoic acids Hydroquinones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous acids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para_phthalic_acid - Dihydroxybenzoic acid - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Benzoic acid - Benzoyl - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in hot dimethylformamide.
• 融点（°C）: 339°C
• 分子量: 198.130 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 198.016 Da
• Monoisotopic Mass: 198.016 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 224.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1