3-[3-(3-Methylphenyl)propanoyl]benzonitrile
[CAS# 898790-45-9]

Identification

• Name: 3-[3-(3-Methylphenyl)propanoyl]benzonitrile
• Synonyms: 3'-cyano-3-(3-methylphenyl)propiophenone
• Molecular Formula: C₁₇H₁₅NO
• Molecular Weight: 249.31
• CAS Registry Number: 898790-45-9
• SMILES: N#Cc1cccc(c1)C(=O)CCc2cccc(C)c2
• InChI: 1S/C17H15NO/c1-13-4-2-5-14(10-13)8-9-17(19)16-7-3-6-15(11-16)12-18/h2-7,10-11H,8-9H2,1H3
• InChIKey: RVRHWAFNFUTJMY-UHFFFAOYSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 430.958°C at 760 mmHg (Cal.)
• Flash point: 214.436°C (Cal.)
• Refractive index: 1.586 (Cal.)