4-{2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl}benzonitrile
[CAS# 898784-59-3]

Identification

• Name: 4-{2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl}benzonitrile
• Synonyms: 2-(4-Cyanophenyl)-4'-trifluoromethylacetophenone; MFCD02260755
• Molecular Formula: C₁₆H₁₀F₃NO
• Molecular Weight: 289.25
• CAS Registry Number: 898784-59-3
• SMILES: FC(F)(F)c1ccc(cc1)C(=O)Cc2ccc(C#N)cc2
• InChI: 1S/C16H10F3NO/c17-16(18,19)14-7-5-13(6-8-14)15(21)9-11-1-3-12(10-20)4-2-11/h1-8H,9H2
• InChIKey: HGNGJBPVDZSFMA-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 413.767°C at 760 mmHg (Cal.)
• Flash point: 204.039°C (Cal.)
• Refractive index: 1.548 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE