Cas no 30006-03-2 (3-Benzoyl-2-thiophenecarboxylic acid)

3-Benzoyl-2-thiophenecarboxylic acid structure
30006-03-2 structure
Product Name:3-Benzoyl-2-thiophenecarboxylic acid
CAS No:30006-03-2
MF:C12H8O3S
MW:232.255122184753
MDL:MFCD00159542
CID:88852
PubChem ID:315607
Update Time:2025-04-18

3-Benzoyl-2-thiophenecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Benzoyl-2-thiophenecarboxylic acid
    • 3-Benzoylthiophene-2-carboxylic acid
    • 3-Benzoylthiophen-2-carbonsaeure
    • 3-benzoyl-thiophene-2-carboxylic acid
    • NSC 241104
    • NSC241104
    • 3-benzoylthiophene-2-carboxylic acid;3-BENZOYL-2-THIOPHENECARBOXYLIC ACID
    • SCHEMBL580801
    • AC-6565
    • AS-38474
    • Q4K02HKZ9P
    • DTXSID30184084
    • 2-Thiophenecarboxylic acid, 3-benzoyl-
    • C12H8O3S
    • 3-Benzoylthiophene-2-carboxylicacid
    • FT-0638901
    • PIPECOLYLDITHIOCARBAMICACIDPIPECOLINIUMSALT
    • 3-benzoyl-2-thiophenecarboxylic acid, AldrichCPR
    • Q-102488
    • CS-0171246
    • UNII-Q4K02HKZ9P
    • 30006-03-2
    • NSC-241104
    • MFCD00159542
    • A5546
    • ZKHLBCVFVQJMBT-UHFFFAOYSA-N
    • AKOS016004634
    • DTXCID40106575
    • DB-012667
    • MDL: MFCD00159542
    • Inchi: 1S/C12H8O3S/c13-10(8-4-2-1-3-5-8)9-6-7-16-11(9)12(14)15/h1-7H,(H,14,15)
    • InChI Key: ZKHLBCVFVQJMBT-UHFFFAOYSA-N
    • SMILES: S1C=CC(=C1C(=O)O)C(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 232.01900
  • Monoisotopic Mass: 232.019
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 284
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.8
  • Topological Polar Surface Area: 82.6A^2

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Solid
  • Density: 1.9±0.1 g/cm3
  • Melting Point: 150-153 °C
  • Boiling Point: 350.4±42.0 °C at 760 mmHg
  • Flash Point: 165.7±27.9 °C
  • Refractive Index: 1.643
  • PSA: 82.61000
  • LogP: 2.67730
  • Solubility: Not determined
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

3-Benzoyl-2-thiophenecarboxylic acid Security Information

3-Benzoyl-2-thiophenecarboxylic acid Customs Data

  • HS CODE:29280090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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3-Benzoyl-2-thiophenecarboxylic acid Production Method

3-Benzoyl-2-thiophenecarboxylic acid Related Literature

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