3-{2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl}benzonitrile
[CAS# 898784-55-9]

Identification

• Name: 3-{2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl}benzonitrile
• Synonyms: 2-(3-Cyanophenyl)-4'-trifluoromethylacetophenone; MFCD02260752
• Molecular Formula: C₁₆H₁₀F₃NO
• Molecular Weight: 289.25
• CAS Registry Number: 898784-55-9
• SMILES: FC(F)(F)c1ccc(cc1)C(=O)Cc2cccc(C#N)c2
• InChI: 1S/C16H10F3NO/c17-16(18,19)14-6-4-13(5-7-14)15(21)9-11-2-1-3-12(8-11)10-20/h1-8H,9H2
• InChIKey: OSLQVNOWVWVLRA-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 405.082°C at 760 mmHg (Cal.)
• Flash point: 198.787°C (Cal.)
• Refractive index: 1.548 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE