2-[3-(3-Fluorophenyl)propanoyl]benzonitrile
[CAS# 898788-79-9]

Identification

• Name: 2-[3-(3-Fluorophenyl)propanoyl]benzonitrile
• Synonyms: 2'-cyano-3-(3-fluorophenyl)propiophenone
• Molecular Formula: C₁₆H₁₂FNO
• Molecular Weight: 253.27
• CAS Registry Number: 898788-79-9
• SMILES: Fc2cc(CCC(=O)c1ccccc1C#N)ccc2
• InChI: 1S/C16H12FNO/c17-14-6-3-4-12(10-14)8-9-16(19)15-7-2-1-5-13(15)11-18/h1-7,10H,8-9H2
• InChIKey: HDXYWGAQQJCFPK-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.)