3-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile
[CAS# 898784-53-7]

Identification

• Name: 3-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile
• Synonyms: 2-(3-cyanophenyl)-3'-trifluoromethylacetophenone
• Molecular Formula: C₁₆H₁₀F₃NO
• Molecular Weight: 289.25
• CAS Registry Number: 898784-53-7
• SMILES: FC(F)(F)c1cc(ccc1)C(=O)Cc2cccc(C#N)c2
• InChI: 1S/C16H10F3NO/c17-16(18,19)14-6-2-5-13(9-14)15(21)8-11-3-1-4-12(7-11)10-20/h1-7,9H,8H2
• InChIKey: MOFDISBHGFDUGF-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 376.171°C at 760 mmHg (Cal.)
• Flash point: 181.302°C (Cal.)
• Refractive index: 1.548 (Cal.)