4-Fluoro-2-(trifluoromethyl)phenylacetonitrile

Base Information

• Chemical Name: 4-Fluoro-2-(trifluoromethyl)phenylacetonitrile
• CAS No.: 80141-94-2
• Molecular Formula: C9H5F4N
• Molecular Weight: 203.139
• Hs Code.: 2926909090
• European Community (EC) Number: 671-320-1
• DSSTox Substance ID: DTXSID00372173
• Wikidata: Q72477516
• Mol file: 80141-94-2.mol

Synonyms:80141-94-2;4-Fluoro-2-(trifluoromethyl)phenylacetonitrile;2-(4-Fluoro-2-(trifluoromethyl)phenyl)acetonitrile;2-[4-fluoro-2-(trifluoromethyl)phenyl]acetonitrile;2-Trifluoromethyl-4-fluorobenzyl cyanide;SCHEMBL958307;DTXSID00372173;YTIAVOXEDRIPNR-UHFFFAOYSA-N;CK2061;MFCD00061182;AKOS015955975;AS-45859;2-(Trifluoromethyl)-4-Fluorobenzyl Cyanide;CS-0269260;FT-0618452;4-fluoro-2-(trifluoromethyl)phenyl-acetonitrile;EN300-1933260;A839852;4-Fluoro-2-(trifluoromethyl)phenylacetonitrile, 97%

Chemical Property of 4-Fluoro-2-(trifluoromethyl)phenylacetonitrile

Chemical Property:

• Vapor Pressure: 0.254mmHg at 25°C
• Refractive Index: n20/D 1.451(lit.)
• Boiling Point: 211.2 °C at 760 mmHg
• Flash Point: 96.2 °C
• PSA: 23.79000
• Density: 1.324 g/cm³
• LogP: 2.91058
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 203.03581181
• Heavy Atom Count: 14
• Complexity: 239

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Fluoro-2-(trifluoromethyl)phenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C(F)(F)F)CC#N