Cas no 1038729-21-3 (5-(2,4-Dimethylphenyl)thiophene-2-carboxylic acid)

5-(2,4-Dimethylphenyl)thiophene-2-carboxylic acid structure
1038729-21-3 structure
Product Name:5-(2,4-Dimethylphenyl)thiophene-2-carboxylic acid
CAS No:1038729-21-3
MF:C13H12O2S
MW:232.298182487488
MDL:MFCD07375939
CID:1025108
PubChem ID:28941888
Update Time:2025-04-20

5-(2,4-Dimethylphenyl)thiophene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(2,4-Dimethylphenyl)thiophene-2-carboxylic acid
    • 5-(2,4-Dimethylphenyl)thiophene-2-carboxylicacid
    • DB-358542
    • AKOS009252421
    • DTXSID00651834
    • MFCD07375939
    • BS-25208
    • BDBM50580243
    • CHEMBL5074967
    • CS-0212233
    • 1038729-21-3
    • SCHEMBL24573407
    • MDL: MFCD07375939
    • Inchi: 1S/C13H12O2S/c1-8-3-4-10(9(2)7-8)11-5-6-12(16-11)13(14)15/h3-7H,1-2H3,(H,14,15)
    • InChI Key: DPTMNNPYLZJREA-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=CC=C1C1C=CC(C)=CC=1C

Computed Properties

  • Exact Mass: 232.05600
  • Monoisotopic Mass: 232.05580079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 267
  • 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
  • XLogP3: 3.9
  • Topological Polar Surface Area: 65.5?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 140℃
  • Boiling Point: 389.2±30.0 °C at 760 mmHg
  • Flash Point: 189.2±24.6 °C
  • PSA: 65.54000
  • LogP: 3.73010
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

5-(2,4-Dimethylphenyl)thiophene-2-carboxylic acid Security Information

5-(2,4-Dimethylphenyl)thiophene-2-carboxylic acid Customs Data

  • HS CODE:2934999090
  • 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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