Cas no 1262010-56-9 (3-(4-Fluorophenyl)-5-trifluoromethylbenzoic acid)

3-(4-Fluorophenyl)-5-trifluoromethylbenzoic acid is a fluorinated aromatic carboxylic acid derivative with notable structural features, including a 4-fluorophenyl group and a trifluoromethyl substituent. These functional groups enhance its utility as an intermediate in pharmaceutical and agrochemical synthesis, where fluorinated compounds are valued for their metabolic stability and lipophilicity. The presence of both fluorine and trifluoromethyl groups may improve binding affinity in target molecules, making it a useful building block for drug discovery. Its benzoic acid core allows for further derivatization, enabling applications in medicinal chemistry and material science. The compound's well-defined structure ensures consistency in synthetic pathways, supporting reproducible research outcomes.
3-(4-Fluorophenyl)-5-trifluoromethylbenzoic acid structure
1262010-56-9 structure
Product Name:3-(4-Fluorophenyl)-5-trifluoromethylbenzoic acid
CAS No:1262010-56-9
MF:C14H8F4O2
MW:284.205738067627
MDL:MFCD18319087
CID:1038969
PubChem ID:53225017
Update Time:2025-10-19

3-(4-Fluorophenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4'-Fluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid
    • 3-(4-FLUOROPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
    • 4'-Fluoro-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
    • BS-20397
    • [1,1'-Biphenyl]-3-carboxylic acid, 4'-fluoro-5-(trifluoromethyl)-
    • 4/'-Fluoro-5-(trifluoroMethyl)-[1,1/'-biphenyl]-3-carboxylic acid
    • DTXSID80688749
    • MFCD18319087
    • 3-(4-fluorophenyl)-5-(trifluoromethyl)benzoic acid
    • SCHEMBL21462308
    • CS-0209359
    • 4'-Fluoro-5-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylicacid
    • 1262010-56-9
    • GXEMQUNYBDUJCM-UHFFFAOYSA-N
    • 3-(4-Fluorophenyl)-5-trifluoromethylbenzoic acid
    • MDL： MFCD18319087
    • Inchi： 1S/C14H8F4O2/c15-12-3-1-8(2-4-12)9-5-10(13(19)20)7-11(6-9)14(16,17)18/h1-7H,(H,19,20)
    • InChI Key： GXEMQUNYBDUJCM-UHFFFAOYSA-N
    • SMILES： FC(C1C=C(C(=O)O)C=C(C=1)C1C=CC(=CC=1)F)(F)F

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: 348
  • 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

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 385.0±42.0 °C at 760 mmHg
  • Flash Point: 186.6±27.9 °C
  • PSA: 37.30000
  • LogP: 4.20970
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

3-(4-Fluorophenyl)-5-trifluoromethylbenzoic acid Security Information

3-(4-Fluorophenyl)-5-trifluoromethylbenzoic 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%

3-(4-Fluorophenyl)-5-trifluoromethylbenzoic acid Pricemore >>

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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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abcr
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