2-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile
[CAS# 898784-47-9]

Identification

• Name: 2-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile
• Synonyms: 2-(2-cyanophenyl)-3'-trifluoromethylacetophenone
• Molecular Formula: C₁₆H₁₀F₃NO
• Molecular Weight: 289.25
• CAS Registry Number: 898784-47-9
• SMILES: O=C(Cc1ccccc1C#N)c2cccc(c2)C(F)(F)F
• InChI: 1S/C16H10F3NO/c17-16(18,19)14-7-3-6-12(8-14)15(21)9-11-4-1-2-5-13(11)10-20/h1-8H,9H2
• InChIKey: OYFORLDRXUOUPK-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 371.316°C at 760 mmHg (Cal.)
• Flash point: 178.366°C (Cal.)
• Refractive index: 1.548 (Cal.)