Cas no 1261593-39-8 (4-Fluoro-3-(3-trifluoromethylphenyl)benzoic acid)

4-Fluoro-3-(3-trifluoromethylphenyl)benzoic acid is a fluorinated aromatic carboxylic acid derivative with a trifluoromethylphenyl substituent, offering unique electronic and steric properties. Its molecular structure, featuring both fluorine and trifluoromethyl groups, enhances lipophilicity and metabolic stability, making it valuable in medicinal chemistry and agrochemical research. The compound serves as a versatile intermediate in synthesizing pharmaceuticals, particularly for targeting enzyme inhibition or receptor modulation due to its electron-withdrawing effects. Its high purity and well-defined reactivity profile facilitate precise functionalization in organic synthesis. The presence of fluorine atoms also improves bioavailability, rendering it useful in the development of bioactive molecules with enhanced pharmacokinetic properties.
4-Fluoro-3-(3-trifluoromethylphenyl)benzoic acid structure
1261593-39-8 structure
Product Name:4-Fluoro-3-(3-trifluoromethylphenyl)benzoic acid
CAS No:1261593-39-8
MF:C14H8F4O2
MW:284.205738067627
MDL:MFCD18321760
CID:1037772
PubChem ID:52984137
Update Time:2025-06-10

4-Fluoro-3-(3-trifluoromethylphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid
    • 4-FLUORO-3-(3-TRIFLUOROMETHYLPHENYL)BENZOIC ACID
    • ACMC-209b22
    • AK107932
    • ANW-18600
    • CTK8A9630
    • KB-248708
    • MolPort-008-791-721
    • 4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
    • BS-20096
    • 6-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylicacid
    • DTXSID90680890
    • [1,1'-Biphenyl]-3-carboxylic acid, 6-fluoro-3'-(trifluoromethyl)-
    • 1261593-39-8
    • MFCD18321760
    • AKOS015888657
    • 6-Fluoro-3'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
    • 4-Fluoro-3-(3-trifluoromethylphenyl)benzoic acid
    • MDL： MFCD18321760
    • Inchi： 1S/C14H8F4O2/c15-12-5-4-9(13(19)20)7-11(12)8-2-1-3-10(6-8)14(16,17)18/h1-7H,(H,19,20)
    • InChI Key： XPQTUZLHWCZPGC-UHFFFAOYSA-N
    • SMILES： FC1=CC=C(C(=O)O)C=C1C1C=CC=C(C(F)(F)F)C=1

Computed Properties

  • Exact Mass: 284.04600
  • Monoisotopic Mass: 284.04604214g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 356
  • 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: 4.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.30000
  • LogP: 4.20970

4-Fluoro-3-(3-trifluoromethylphenyl)benzoic acid Customs Data

  • HS CODE：2916399090
  • Customs Data：

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-Fluoro-3-(3-trifluoromethylphenyl)benzoic acid Pricemore >>

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abcr
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abcr
AB329003-5 g
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abcr
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