2-Vinylterephthalic acid - ≥97% , CAS No.216431-29-7

CAS: 216431-29-7 Cat. No.: V588145 Summenformel: C₁₀H₈O₄ Molekulargewicht: 192.17 PubChem CID: 21087698

GRADE & PURITY ≥97%

Synonyms

SCHEMBL605638 | 2-Vinylterephthalicacid | AS-64441 | 2-ethenylterephthalic acid | 2-Vinylterephthalic acid | DTXSID00610648 | C74062 | A911397 | 1,4-Benzenedicarboxylic acid, 2-ethenyl- | MFCD20641979 | 2-Ethenylbenzene-1,4-dicarboxylic acid | AKOS0281100

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

SCHEMBL605638 | 2-Vinylterephthalicacid | AS-64441 | 2-ethenylterephthalic acid | 2-Vinylterephthalic acid | DTXSID00610648 | C74062 | A911397 | 1,4-Benzenedicarboxylic acid, 2-ethenyl- | MFCD20641979 | 2-Ethenylbenzene-1,4-dicarboxylic acid | AKOS0281100

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 508808029
• Kanonisches Lächeln: C=CC1=C(C=CC(=C1)C(=O)O)C(=O)O
• IUPAC Name: 2-ethenylterephthalic acid
• InChIKey: CFCMNKJCKDXHHO-UHFFFAOYSA-N
• INCHI: 1S/C10H8O4/c1-2-6-5-7(9(11)12)3-4-8(6)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)
• Isomere SMILES: C=CC1=C(C=CC(=C1)C(=O)O)C(=O)O
• PubChem CID: 21087698
• Molekulargewicht: 192.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Phthalic acid and derivatives
          • Ebene6 P-phthalic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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: Benzoic acids Styrenes Benzoyl derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para_phthalic_acid - Benzoic acid - Styrene - Benzoyl - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 192.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 192.042 Da
• Monoisotopic Mass: 192.042 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 259.000
• 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

Referenzen

1. Xiaoyun Lei, Yang Li, Lu Yu, Siying Meng, Haitao Xu, Rui Wu, Junhai Liu, Xinxin Zhao, Zuoping Zhao.  (2025)  A reliable fluorescent aptasensor for selective detection of trace estradiol based on metal–organic framework click-grafting aptamers functionalized fabric.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.113010]