Cas no 185945-88-4 (3-Fluoro-4-(methylsulfonyl)benzoic acid)

3-Fluoro-4-(methylsulfonyl)benzoic acid is a fluorinated aromatic carboxylic acid derivative featuring a methylsulfonyl substituent at the para position relative to the carboxylic acid group. This compound is of interest in pharmaceutical and agrochemical research due to its unique electronic and steric properties, imparted by the fluorine and sulfonyl functional groups. The presence of these moieties enhances its reactivity and potential as a building block in the synthesis of biologically active molecules. Its high purity and well-defined structure make it suitable for use in cross-coupling reactions, medicinal chemistry applications, and as an intermediate in the development of novel compounds with tailored properties.
3-Fluoro-4-(methylsulfonyl)benzoic acid structure
185945-88-4 structure
Product Name:3-Fluoro-4-(methylsulfonyl)benzoic acid
CAS No:185945-88-4
MF:C8H7FO4S
MW:218.202184915543
MDL:MFCD09743730
CID:850672
PubChem ID:26598073
Update Time:2025-06-08

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

Names and Identifiers

    • 3-Fluoro-4-(methylsulfonyl)benzoic acid
    • 4-Carboxy-3-fluorophenyl methyl sulphone
    • 3-FLUORO-4-(METHYLSULPHONYL)BENZOIC ACID
    • 3-Fluoro-4-methylsulfonylbenzoic acid
    • Benzoic acid, 3-fluoro-4-(methylsulfonyl)-
    • 3-fluoro-4-methanesulfonylbenzoic acid
    • PC7551
    • QJHFDGZWRWQZCR-UHFFFAOYSA-N
    • 6237AD
    • 3-fluoro-4-methylsulfonyl-benzoic acid
    • TRA0044796
    • SY006933
    • 3-Fluoro-4-(methanesulfonyl)benzoic acid
    • AB00
    • 185945-88-4
    • PS-6814
    • DB-065549
    • MFCD09743730
    • CS-0150152
    • 3-Fluoro-4-(methylsulfonyl)benzoicAcid
    • SCHEMBL4597784
    • AKOS015852947
    • DTXSID70650213
    • MDL： MFCD09743730
    • Inchi： 1S/C8H7FO4S/c1-14(12,13)7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)
    • InChI Key： QJHFDGZWRWQZCR-UHFFFAOYSA-N
    • SMILES： S(C)(C1C=CC(C(=O)O)=CC=1F)(=O)=O

Computed Properties

  • Exact Mass: 218.00500
  • Monoisotopic Mass: 218.00490804g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 319
  • 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
  • Topological Polar Surface Area: 79.8
  • XLogP3: 0.8

Experimental Properties

  • Density: 1.474±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 429.2℃ at 760 mmHg
  • Flash Point: 213.39℃
  • Solubility: Slightly soluble (1 g/l) (25 o C),
  • PSA: 79.82000
  • LogP: 2.00820

3-Fluoro-4-(methylsulfonyl)benzoic acid Security Information

  • Hazard Statement： Irritant
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

3-Fluoro-4-(methylsulfonyl)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%

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

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
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SHANG HAI XIAN DING Biotechnology Co., Ltd.
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3-Fluoro-4-(methylsulfonyl)benzoic acid Production Method

3-Fluoro-4-(methylsulfonyl)benzoic acid Related Literature

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