Cas no 1261929-04-7 (4-(3-Chlorophenyl)-2-fluorobenzoic acid)

4-(3-Chlorophenyl)-2-fluorobenzoic acid is a fluorinated benzoic acid derivative featuring a chlorophenyl substituent, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its distinct structure, combining both chloro and fluoro functional groups, enhances its utility in the development of bioactive compounds, particularly in medicinal chemistry for drug discovery. The compound exhibits favorable physicochemical properties, including moderate solubility and stability, facilitating its use in cross-coupling reactions and other transformations. Its precise functional group arrangement allows for selective modifications, making it a versatile building block for synthesizing complex molecules. This compound is typically handled under controlled conditions due to its reactivity.
4-(3-Chlorophenyl)-2-fluorobenzoic acid structure
1261929-04-7 structure
Product Name:4-(3-Chlorophenyl)-2-fluorobenzoic acid
CAS No:1261929-04-7
MF:C13H8ClFO2
MW:250.652826309204
MDL:MFCD13288086
CID:1039218
PubChem ID:53211697
Update Time:2025-05-28

4-(3-Chlorophenyl)-2-fluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3'-Chloro-3-fluoro-[1,1'-biphenyl]-4-carboxylic acid
    • 4-(3-chlorophenyl)-2-fluorobenzoic acid
    • ACMC-209b5j
    • AK-95162
    • ANW-18725
    • CTK8A9745
    • KB-235553
    • MolPort-014-548-876
    • DTXSID00681434
    • BS-20226
    • [1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-3-fluoro-
    • 3'-Chloro-3-fluoro[1,1'-biphenyl]-4-carboxylic acid
    • 3'-Chloro-3-fluoro-[1,1'-biphenyl]-4-carboxylicacid
    • MFCD13288086
    • 1261929-04-7
    • AKOS010479770
    • G83684
    • 4-(3-Chlorophenyl)-2-fluorobenzoic acid
    • MDL： MFCD13288086
    • Inchi： 1S/C13H8ClFO2/c14-10-3-1-2-8(6-10)9-4-5-11(13(16)17)12(15)7-9/h1-7H,(H,16,17)
    • InChI Key： MNRXPTXPQMHPAT-UHFFFAOYSA-N
    • SMILES： ClC1=CC=CC(=C1)C1C=CC(C(=O)O)=C(C=1)F

Computed Properties

  • Exact Mass: 250.02000
  • Monoisotopic Mass: 250.0196853g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 285
  • 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: 3.8
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 396.1±32.0 °C at 760 mmHg
  • Flash Point: 193.4±25.1 °C
  • PSA: 37.30000
  • LogP: 3.84430
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

4-(3-Chlorophenyl)-2-fluorobenzoic acid Security Information

4-(3-Chlorophenyl)-2-fluorobenzoic 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-(3-Chlorophenyl)-2-fluorobenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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Fluorochem
217307-1g
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 1261929-04-7 95%
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Fluorochem
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Fluorochem
217307-10g
3'-Chloro-3-fluoro-[1,1'-biphenyl]-4-carboxylic acid
 1261929-04-7 95%
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abcr
AB327001-1 g
4-(3-Chlorophenyl)-2-fluorobenzoic acid; 97%
 1261929-04-7
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abcr
AB327001-5 g
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