2-[3-(4-Methylphenyl)propanoyl]benzonitrile
[CAS# 898768-53-1]

Identification

• Name: 2-[3-(4-Methylphenyl)propanoyl]benzonitrile
• Synonyms: 2'-cyano-3-(4-methylphenyl)propiophenone
• Molecular Formula: C₁₇H₁₅NO
• Molecular Weight: 249.31
• CAS Registry Number: 898768-53-1
• SMILES: N#Cc2ccccc2C(=O)CCc1ccc(C)cc1
• InChI: 1S/C17H15NO/c1-13-6-8-14(9-7-13)10-11-17(19)16-5-3-2-4-15(16)12-18/h2-9H,10-11H2,1H3
• InChIKey: IZBLIZCVMINGAK-UHFFFAOYSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 437.582°C at 760 mmHg (Cal.)
• Flash point: 218.442°C (Cal.)
• Refractive index: 1.586 (Cal.)