3-Fluoro-4-(trifluoromethyl)phenylacetonitrile

Base Information

• Chemical Name: 3-Fluoro-4-(trifluoromethyl)phenylacetonitrile
• CAS No.: 247113-90-2
• Molecular Formula: C9H5F4N
• Molecular Weight: 203.139
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80372171
• Wikidata: Q82159747
• Mol file: 247113-90-2.mol

Synonyms:247113-90-2;3-Fluoro-4-(trifluoromethyl)phenylacetonitrile;2-[3-fluoro-4-(trifluoromethyl)phenyl]acetonitrile;2-(3-fluoro-4-(trifluoromethyl)phenyl)acetonitrile;SCHEMBL624789;DTXSID80372171;MFCD00236305;AKOS015853214;PS-8165;CS-0100877;EN300-1932695

Chemical Property of 3-Fluoro-4-(trifluoromethyl)phenylacetonitrile

Chemical Property:

• Boiling Point: 229.5±35.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.324±0.06 g/cm3(Predicted)
• 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%min ^*data from raw suppliers

3-Fluoro-4-(trifluoromethyl)phenylacetonitrile 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC#N)F)C(F)(F)F