Cas no 117186-02-4 (3-Methyl-5-(trifluoromethyl)benzoic Acid)

3-Methyl-5-(trifluoromethyl)benzoic Acid structure
117186-02-4 structure
Product Name:3-Methyl-5-(trifluoromethyl)benzoic Acid
CAS No:117186-02-4
MF:C9H7F3O2
MW:204.145893335342
MDL:MFCD01631590
CID:131511
PubChem ID:2775588
Update Time:2025-04-19

3-Methyl-5-(trifluoromethyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-5-(trifluoromethyl)benzoic acid
    • 3-Methyl-5-trifluoromethyl-benzoic acid
    • Benzoic acid,3-methyl-5-(trifluoromethyl)-
    • 3-Carboxy-5-methylbenzotrifluoride
    • 3-METHYL-5-TRIFLUOROMETHYLBENZOIC ACID
    • RARECHEM AL BO 2140
    • Benzoic acid, 3-methyl-5-(trifluoromethyl)-
    • PubChem16302
    • 3-METHYL-5-(TRIFLUOROMETHYL)BENZOICACID
    • KSC495M6N
    • QJSRENHDYMAJIL-UHFFFAOYSA-N
    • SBB093239
    • PC0448
    • CL8095
    • TRA0088270
    • AB09380
    • FCH13
    • SY106781
    • A20400
    • AKOS015956003
    • PS-8151
    • MFCD01631590
    • 117186-02-4
    • DTXSID10379597
    • CS-W015423
    • QJSRENHDYMAJIL-UHFFFAOYSA-M
    • AM807413
    • EN300-1654495
    • FT-0616101
    • SCHEMBL2926459
    • 3-Methyl-5-(trifluoromethyl)benzoic Acid
    • MDL： MFCD01631590
    • Inchi： 1S/C9H7F3O2/c1-5-2-6(8(13)14)4-7(3-5)9(10,11)12/h2-4H,1H3,(H,13,14)
    • InChI Key： QJSRENHDYMAJIL-UHFFFAOYSA-N
    • SMILES： FC(C1C=C(C(=O)O)C=C(C)C=1)(F)F

Computed Properties

  • Exact Mass: 204.04000
  • Monoisotopic Mass: 204.04
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 225
  • 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: 37.3
  • XLogP3: 2.7

Experimental Properties

  • Color/Form: No data available
  • Density: 1.345±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 257.1±40.0 oC (760 Torr),
  • Flash Point: 109.3±27.3 oC,
  • Refractive Index: 1.478
  • Solubility: Very slightly soluble (0.37 g/l) (25 o C),
  • PSA: 37.30000
  • LogP: 2.71200

3-Methyl-5-(trifluoromethyl)benzoic Acid Security Information

3-Methyl-5-(trifluoromethyl)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-Methyl-5-(trifluoromethyl)benzoic Acid Pricemore >>

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