2-[3-(Trifluoromethyl)phenyl]benzonitrile

Base Information

• Chemical Name: 2-[3-(Trifluoromethyl)phenyl]benzonitrile
• CAS No.: 501427-87-8
• Molecular Formula: C14H8F3N
• Molecular Weight: 247.21
• DSSTox Substance ID: DTXSID30362608
• Nikkaji Number: J1.815.916C
• Wikidata: Q82145845
• Mol file: 501427-87-8.mol

Synonyms:2-[3-(trifluoromethyl)phenyl]benzonitrile;501427-87-8;3'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile;3'-(Trifluoromethyl)[1,1'-biphenyl]-2-carbonitrile;DTXSID30362608;BVA42787;MFCD05978897;AKOS004118648;BS-28589;3'-(Trifluoromethyl)biphenyl-2-carbonitrile;BB 0223757;CS-0210702

Chemical Property of 2-[3-(Trifluoromethyl)phenyl]benzonitrile

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 247.06088375
• Heavy Atom Count: 18
• Complexity: 328

Purity/Quality:

95% ^*data from raw suppliers

3'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C#N)C2=CC(=CC=C2)C(F)(F)F