3-[3-(3,4,5-Trifluorophenyl)propanoyl]benzonitrile
[CAS# 898777-72-5]

Identification

• Name: 3-[3-(3,4,5-Trifluorophenyl)propanoyl]benzonitrile
• Synonyms: 3'-cyano-3-(3,4,5-trifluorophenyl)propiophenone
• Molecular Formula: C₁₆H₁₀F₃NO
• Molecular Weight: 289.25
• CAS Registry Number: 898777-72-5
• SMILES: Fc2cc(CCC(=O)c1cccc(C#N)c1)cc(F)c2F
• InChI: 1S/C16H10F3NO/c17-13-7-10(8-14(18)16(13)19)4-5-15(21)12-3-1-2-11(6-12)9-20/h1-3,6-8H,4-5H2
• InChIKey: DRYOBUBRFKADNF-UHFFFAOYSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 415.138°C at 760 mmHg (Cal.)
• Flash point: 204.869°C (Cal.)
• Refractive index: 1.552 (Cal.)