3-{2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl}benzonitrile
[CAS# 898784-51-5]

Identification

• Name: 3-{2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl}benzonitrile
• Synonyms: 2-(3-cyanophenyl)-2'-trifluoromethylacetophenone
• Molecular Formula: C₁₆H₁₀F₃NO
• Molecular Weight: 289.25
• CAS Registry Number: 898784-51-5
• SMILES: FC(F)(F)c2ccccc2C(=O)Cc1cccc(C#N)c1
• InChI: 1S/C16H10F3NO/c17-16(18,19)14-7-2-1-6-13(14)15(21)9-11-4-3-5-12(8-11)10-20/h1-8H,9H2
• InChIKey: XSSBWRNQQOHIJK-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 399.296°C at 760 mmHg (Cal.)
• Flash point: 195.287°C (Cal.)
• Refractive index: 1.548 (Cal.)