2-{2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl}benzonitrile
[CAS# 898784-49-1]

Identification

• Name: 2-{2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl}benzonitrile
• Synonyms: 2-(2-cyanophenyl)-4'-trifluoromethylacetophenone
• Molecular Formula: C₁₆H₁₀F₃NO
• Molecular Weight: 289.25
• CAS Registry Number: 898784-49-1
• SMILES: O=C(Cc1ccccc1C#N)c2ccc(cc2)C(F)(F)F
• InChI: 1S/C16H10F3NO/c17-16(18,19)14-7-5-11(6-8-14)15(21)9-12-3-1-2-4-13(12)10-20/h1-8H,9H2
• InChIKey: QXVIXSNBMFJLTK-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 399.956°C at 760 mmHg (Cal.)
• Flash point: 195.686°C (Cal.)
• Refractive index: 1.548 (Cal.)