3-[3-(4-Methylphenyl)propanoyl]benzonitrile
[CAS# 898768-55-3]

Identification

• Name: 3-[3-(4-Methylphenyl)propanoyl]benzonitrile
• Synonyms: 3'-cyano-3-(4-methylphenyl)propiophenone
• Molecular Formula: C₁₇H₁₅NO
• Molecular Weight: 249.31
• CAS Registry Number: 898768-55-3
• SMILES: N#Cc1cccc(c1)C(=O)CCc2ccc(C)cc2
• InChI: 1S/C17H15NO/c1-13-5-7-14(8-6-13)9-10-17(19)16-4-2-3-15(11-16)12-18/h2-8,11H,9-10H2,1H3
• InChIKey: WQXDIRFAWSJZST-UHFFFAOYSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 431.517°C at 760 mmHg (Cal.)
• Flash point: 214.774°C (Cal.)
• Refractive index: 1.586 (Cal.)