Cas no 70124-90-2 (2-{4-(trifluoromethyl)sulfanylphenyl}acetonitrile)

2-{4-(trifluoromethyl)sulfanylphenyl}acetonitrile structure
70124-90-2 structure
Product Name:2-{4-(trifluoromethyl)sulfanylphenyl}acetonitrile
CAS No:70124-90-2
MF:C9H6F3NS
MW:217.210851192474
MDL:MFCD00236354
CID:974647
PubChem ID:2777905
Update Time:2025-04-19

2-{4-(trifluoromethyl)sulfanylphenyl}acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(4-((Trifluoromethyl)thio)phenyl)acetonitrile
    • 2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile
    • 4-(trifluoromethylthio)phenylacetonitrile
    • C9H6F3NS
    • 4-Trifluormethylmercapto-benzonitril
    • 4-trifluoromethylthiophenylacetonitrile
    • 2-{4-(trifluoromethyl)sulfanylphenyl}acetonitrile
    • SCHEMBL350873
    • 4-[(Trifluoromethyl)thio]phenylacetonitrile
    • EN300-1930089
    • 2-(4-(trifluoromethylthio)phenyl)acetonitrile
    • AMY6259
    • {4-[(trifluoromethyl)thio]phenyl} acetonitrile
    • Benzeneacetonitrile, 4-[(trifluoromethyl)thio]-
    • 4-trifluoromethylmercapto-benzyl cyanide
    • 70124-90-2
    • 2-[4-(trifluoromethylthio)phenyl]acetonitrile
    • A836779
    • SY106785
    • 2-[4-(trifluoromethylsulfanyl)phenyl]ethanenitrile
    • DS-6637
    • FT-0641267
    • {4-[(trifluoromethyl)thio]phenyl}acetonitrile
    • AKOS015898404
    • 2-{4-[(Trifluoromethyl)Sulfanyl]Phenyl}Acetonitrile
    • MFCD00236354
    • DTXSID30380706
    • CS-0157403
    • 4-Trifluoromethylthiobenzylcyanide;2-(4-[(Trifluoromethyl)sulfanyl]phenyl)acetonitrile;
    • {4-[(trifluoromethyl)sulfanyl]phenyl}acetonitrile
    • DB-055379
    • MDL： MFCD00236354
    • Inchi： 1S/C9H6F3NS/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13/h1-4H,5H2
    • InChI Key： HZIDFDPCOAUCGK-UHFFFAOYSA-N
    • SMILES： S(C(F)(F)F)C1C=CC(CC#N)=CC=1

Computed Properties

  • Exact Mass: 217.01700
  • Monoisotopic Mass: 217.01730486g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 222
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 49.1?2

Experimental Properties

  • Density: 1.33±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 22-24 oC
  • Boiling Point: 135-137 oC (13 Torr)
  • Flash Point: 86.0±27.3 oC,
  • Refractive Index: n20/D 1.490(lit.)
  • Solubility: Very slightly soluble (0.14 g/l) (25 o C),
  • PSA: 49.09000
  • LogP: 3.36458

2-{4-(trifluoromethyl)sulfanylphenyl}acetonitrile Security Information

  • Hazard Statement： Toxic
  • Hazardous Material transportation number：3276
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26-S36
  • Hazardous Material Identification： Xi T
  • Risk Phrases：R36/37/38

2-{4-(trifluoromethyl)sulfanylphenyl}acetonitrile Customs Data

  • HS CODE：2930909090
  • Customs Data：

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-{4-(trifluoromethyl)sulfanylphenyl}acetonitrile Pricemore >>

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