2-Fluoro-3-(trifluoromethyl)phenylacetonitrile

Base Information

• Chemical Name: 2-Fluoro-3-(trifluoromethyl)phenylacetonitrile
• CAS No.: 239087-10-6
• Molecular Formula: C9H5F4N
• Molecular Weight: 203.14
• Hs Code.: 2926909090
• European Community (EC) Number: 636-628-2
• DSSTox Substance ID: DTXSID90372167
• Wikidata: Q72477512
• Mol file: 239087-10-6.mol

Synonyms:239087-10-6;2-Fluoro-3-(trifluoromethyl)phenylacetonitrile;2-(2-Fluoro-3-(trifluoromethyl)phenyl)acetonitrile;2-[2-fluoro-3-(trifluoromethyl)phenyl]acetonitrile;2-fluoro-3-trifluoromethylbenzyl cyanide;2-Fluoro-3-(trifluoromethyl)benzyl cyanide;2-fluoro-3-(trifluoromethyl)-phenylacetonitrile;sodiumpicosulfate;SCHEMBL5081797;DTXSID90372167;VUUVDTMSSVKPDJ-UHFFFAOYSA-N;CK2063;MFCD00061178;AKOS015854285;PS-8164;CS-0100882;FT-0676183;EN300-1929027;A816978;J-509359;2-Fluoro-3-(trifluoromethyl)phenylacetonitrile, 97%

Chemical Property of 2-Fluoro-3-(trifluoromethyl)phenylacetonitrile

Chemical Property:

• Vapor Pressure: 0.107mmHg at 25°C
• Refractive Index: n20/D 1.45(lit.)
• Boiling Point: 221.5 °C at 760 mmHg
• Flash Point: 109 °C
• PSA: 23.79000
• Density: 1.34 g/cm³
• LogP: 2.91058
• 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

2-Fluoro-3-(trifluoromethyl)phenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/24/25-36/37/38
• Safety Statements: 22-26-36-45

MSDS Files:

SDS file from LookChem

Useful:

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