2-[3-(3,4-Dimethylphenyl)propanoyl]benzonitrile
[CAS# 898755-71-0]

Identification

• Name: 2-[3-(3,4-Dimethylphenyl)propanoyl]benzonitrile
• Synonyms: 2'-cyano-3-(3,4-dimethylphenyl)propiophenone
• Molecular Formula: C₁₈H₁₇NO
• Molecular Weight: 263.33
• CAS Registry Number: 898755-71-0
• SMILES: Cc2ccc(CCC(=O)c1ccccc1C#N)cc2C
• InChI: 1S/C18H17NO/c1-13-7-8-15(11-14(13)2)9-10-18(20)17-6-4-3-5-16(17)12-19/h3-8,11H,9-10H2,1-2H3
• InChIKey: ZZOWIAGMGHHCKQ-UHFFFAOYSA-N

Properties

• Density: 1.106g/cm³ (Cal.)
• Boiling point: 451.591°C at 760 mmHg (Cal.)
• Flash point: 226.915°C (Cal.)
• Refractive index: 1.58 (Cal.)