4-[3-(3,4,5-Trifluorophenyl)propanoyl]benzonitrile
[CAS# 898777-74-7]

Identification

• Name: 4-[3-(3,4,5-Trifluorophenyl)propanoyl]benzonitrile
• Synonyms: 4'-cyano-3-(3,4,5-trifluorophenyl)propiophenone
• Molecular Formula: C₁₆H₁₀F₃NO
• Molecular Weight: 289.25
• CAS Registry Number: 898777-74-7
• SMILES: Fc2cc(CCC(=O)c1ccc(C#N)cc1)cc(F)c2F
• InChI: 1S/C16H10F3NO/c17-13-7-11(8-14(18)16(13)19)3-6-15(21)12-4-1-10(9-20)2-5-12/h1-2,4-5,7-8H,3,6H2
• InChIKey: HHVHAORYTUCZIN-UHFFFAOYSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 432.745°C at 760 mmHg (Cal.)
• Flash point: 215.516°C (Cal.)
• Refractive index: 1.552 (Cal.)