Cas no 261952-04-9 (3-Methyl-5-(trifluoromethyl)benzonitrile)

3-Methyl-5-(trifluoromethyl)benzonitrile structure
261952-04-9 structure
Product Name:3-Methyl-5-(trifluoromethyl)benzonitrile
CAS No:261952-04-9
MF:C9H6F3N
MW:185.145852565765
MDL:MFCD01631595
CID:247434
PubChem ID:2775595
Update Time:2025-04-19

3-Methyl-5-(trifluoromethyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-5-(trifluoromethyl)benzonitrile
    • Benzonitrile,3-methyl-5-(trifluoromethyl)-
    • 3-Cyano-5-methylbenzotrifluoride
    • PC0456
    • 3-methyl-5-trifluoromethyl-benzonitrile
    • SCHEMBL11954934
    • AKOS005254408
    • PS-8504
    • 3-Methyl-5-(trifluoromethyl)benzonitrile, 97%
    • A818311
    • CS-W016958
    • FT-0712925
    • DTXSID00379602
    • 261952-04-9
    • MFCD01631595
    • E79061
    • Benzonitrile, 3-methyl-5-(trifluoromethyl)-
    • SY059239
    • STL557788
    • BBL103978
    • DB-003985
    • MDL： MFCD01631595
    • Inchi： 1S/C9H6F3N/c1-6-2-7(5-13)4-8(3-6)9(10,11)12/h2-4H,1H3
    • InChI Key： CSJHJNBBWUGJFY-UHFFFAOYSA-N
    • SMILES： FC(C1C=C(C#N)C=C(C)C=1)(F)F

Computed Properties

  • Exact Mass: 185.04500
  • Monoisotopic Mass: 185.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • 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: 23.8A^2
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.24
  • Boiling Point: 214.2°Cat760mmHg
  • Flash Point: 83.4°C
  • Refractive Index: 1.4630
  • PSA: 23.79000
  • LogP: 2.88548

3-Methyl-5-(trifluoromethyl)benzonitrile Security Information

  • Hazard Statement： Toxic
  • Hazardous Material transportation number：UN 3439
  • Hazard Category Code： 20/21/22-36/37/38
  • Safety Instruction： S26; S36/37/39
  • Hazardous Material Identification： T
  • HazardClass：6.1
  • Risk Phrases：R20/21/22; R36/37/38

3-Methyl-5-(trifluoromethyl)benzonitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. 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

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-Methyl-5-(trifluoromethyl)benzonitrile Pricemore >>

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Alichem
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Apollo Scientific
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