4-[3-(3-Fluorophenyl)propanoyl]benzonitrile
[CAS# 898788-85-7]

Identification

• Name: 4-[3-(3-Fluorophenyl)propanoyl]benzonitrile
• Synonyms: 4'-cyano-3-(3-fluorophenyl)propiophenone
• Molecular Formula: C₁₆H₁₂FNO
• Molecular Weight: 253.27
• CAS Registry Number: 898788-85-7
• SMILES: Fc2cc(CCC(=O)c1ccc(C#N)cc1)ccc2
• InChI: 1S/C16H12FNO/c17-15-3-1-2-12(10-15)6-9-16(19)14-7-4-13(11-18)5-8-14/h1-5,7-8,10H,6,9H2
• InChIKey: BTJPIKZDWLZJRM-UHFFFAOYSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 426.636°C at 760 mmHg (Cal.)
• Flash point: 211.822°C (Cal.)
• Refractive index: 1.579 (Cal.)