2-((3-(Trifluoromethyl)benzyl)sulfonyl)acetonitrile

Base Information

• Chemical Name: 2-((3-(Trifluoromethyl)benzyl)sulfonyl)acetonitrile
• CAS No.: 175276-81-0
• Molecular Formula: C₁₀H₈F₃NO₂S
• Molecular Weight: 263.24
• Hs Code.: 2926909090
• European Community (EC) Number: 670-986-0
• DSSTox Substance ID: DTXSID90382084
• Wikidata: Q82173388
• Mol file: 175276-81-0.mol

Synonyms:175276-81-0;2-((3-(Trifluoromethyl)benzyl)sulfonyl)acetonitrile;3-(Trifluoromethyl)benzylsulfonyl acetonitrile;2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetonitrile;3-trifluoromethylbenzylsulfonylacetonitrile;C10H8F3NO2S;3-(trifluoromethyl)benzylsulfonylacetonitrile;3-(trifluoromethyl)benzylsulphonyl acetonitrile;SCHEMBL1955265;DTXSID90382084;Acetonitrile,2-[[[3-(trifluoromethyl)phenyl]methyl]sulfonyl]-;MFCD00173822;AKOS005257564;FS-5403;FT-0643692;2-(3-(trifluoromethyl)benzylsulfonyl)acetonitrile;A811981;(3-trifluoromethyl-phenylmethanesulfonyl)-acetonitrile;{[3-(Trifluoromethyl)phenyl]methanesulfonyl}acetonitrile;2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}acetonitrile

Chemical Property of 2-((3-(Trifluoromethyl)benzyl)sulfonyl)acetonitrile

Chemical Property:

• Vapor Pressure: 3.91E-07mmHg at 25°C
• Melting Point: 119 °C
• Boiling Point: 444.2°Cat760mmHg
• Flash Point: 222.4°C
• PSA: 66.31000
• Density: 1.354g/cm³
• LogP: 3.22458
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 263.02278416
• Heavy Atom Count: 17
• Complexity: 402

Purity/Quality:

99% ^*data from raw suppliers

2-((3-(Trifluoromethyl)benzyl)sulfonyl)acetonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)CC#N