3-(Phenylacetyl)benzonitrile
[CAS# 758710-68-8]

Identification

• Name: 3-(Phenylacetyl)benzonitrile
• Synonyms: 3'-Cyano-2-phenylacetophenone; MFCD02260674
• Molecular Formula: C₁₅H₁₁NO
• Molecular Weight: 221.25
• CAS Registry Number: 758710-68-8
• SMILES: O=C(Cc1ccccc1)c2cccc(C#N)c2
• InChI: 1S/C15H11NO/c16-11-13-7-4-8-14(9-13)15(17)10-12-5-2-1-3-6-12/h1-9H,10H2
• InChIKey: SJUJLORYVIDRGF-UHFFFAOYSA-N

Properties

• Density: 1.164g/cm³ (Cal.)
• Melting point: 83-85°C (Expl.)
• Boiling point: 389.298°C at 760 mmHg (Cal.)
• Flash point: 189.241°C (Cal.)
• Refractive index: 1.604 (Cal.)

Safety Data

• Safety Description: IRRITANT