Cas no 186405-37-8 (2-(4-Trifluoromethylbenzenesulfonyl)acetonitrile)

2-(4-Trifluoromethylbenzenesulfonyl)acetonitrile structure
186405-37-8 structure
Product Name:2-(4-Trifluoromethylbenzenesulfonyl)acetonitrile
CAS No:186405-37-8
MF:C9H6F3NO2S
MW:249.209651470184
MDL:MFCD08741474
CID:92233
PubChem ID:22000588
Update Time:2025-04-18

2-(4-Trifluoromethylbenzenesulfonyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • (4-TRIFLUOROMETHYLBENZENESULFONYL)ACETONITRILE
    • 2-(4-TRIFLUOROMETHYLBENZENESULPHONYL)ACETONITRILE
    • [4-(TRIFLUOROMETHYL)PHENYLSULFONYL]ACETONITRILE
    • 2-[4-(trifluoromethyl)phenyl]sulfonylacetonitrile
    • (4-trifluoromethylbenzenesulfonyl)-acetonitrile
    • 2-(3,4-DIMETHOXYPHENYL)-6,8-DIMETHYLQUINOLINE-4-CARBOXYLIC ACID
    • 2-(4-trifluoromethylphenylsulfonyl)acetonitrile
    • 4-trifluoromethylphenylsulfonylacetonitrile
    • Acetonitrile,2-[[4-(trifluoromethyl)phenyl]sulfonyl]
    • Acetonitrile,[[4-(trifluoromethyl)phenyl]sulfonyl]- (9CI)
    • [[4-(Trifluoromethyl)phenyl]sulfonyl]acetonitrile
    • MFCD08741474
    • 2-[4-(TRIFLUOROMETHYL)BENZENESULFONYL]ACETONITRILE
    • DTXSID30621383
    • 2-(4-Trifluoromethylbenzenesulfonyl)acetonitrile
    • AKOS005256343
    • [4-(Trifluoromethyl)benzene-1-sulfonyl]acetonitrile
    • SCHEMBL7967599
    • 186405-37-8
    • 2-((4-(Trifluoromethyl)phenyl)sulfonyl)acetonitrile
    • 5-methylisoxazole-4-sulfonylchloride
    • CS-0318384
    • MS-20128
    • BBL101014
    • {[4-(trifluoromethyl)phenyl]sulfonyl}acetonitrile
    • STL554808
    • MDL： MFCD08741474
    • Inchi： 1S/C9H6F3NO2S/c10-9(11,12)7-1-3-8(4-2-7)16(14,15)6-5-13/h1-4H,6H2
    • InChI Key： AGVHYIFQWMKQLX-UHFFFAOYSA-N
    • SMILES： S(CC#N)(C1C=CC(C(F)(F)F)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 249.00700
  • Monoisotopic Mass: 249.00713409g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 379
  • 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: 1.8
  • Topological Polar Surface Area: 66.3?2

Experimental Properties

  • Density: 1.427
  • Melting Point: 142-145°C
  • Boiling Point: 381.9°C at 760 mmHg
  • Flash Point: 184.8°C
  • Refractive Index: 1.481
  • PSA: 66.31000
  • LogP: 3.08348

2-(4-Trifluoromethylbenzenesulfonyl)acetonitrile Security Information

  • Hazardous Material transportation number：UN3439
  • HazardClass：6.1
  • PackingGroup：III
  • Safety Term：6.1
  • Packing Group：III
  • Packing Group：III
  • Hazard Level：6.1

2-(4-Trifluoromethylbenzenesulfonyl)acetonitrile 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%

2-(4-Trifluoromethylbenzenesulfonyl)acetonitrile Pricemore >>

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