3-[(4-Methylphenyl)Acetyl]Benzonitrile
[CAS# 465514-72-1]

Identification

• Name: 3-[(4-Methylphenyl)Acetyl]Benzonitrile
• Synonyms: ZINC00161866
• Molecular Formula: C₁₆H₁₃NO
• Molecular Weight: 235.28
• CAS Registry Number: 465514-72-1
• SMILES: O=C(c1cccc(C#N)c1)Cc2ccc(cc2)C
• InChI: 1S/C16H13NO/c1-12-5-7-13(8-6-12)10-16(18)15-4-2-3-14(9-15)11-17/h2-9H,10H2,1H3
• InChIKey: YFRJIOUAHUUOHB-UHFFFAOYSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 402.895°C at 760 mmHg (Cal.)
• Flash point: 197.464°C (Cal.)
• Refractive index: 1.596 (Cal.)