3-[3-(2,3-Dimethylphenyl)propanoyl]benzonitrile
[CAS# 898769-14-7]

Identification

• Name: 3-[3-(2,3-Dimethylphenyl)propanoyl]benzonitrile
• Synonyms: 3'-cyano-3-(2,3-dimethylphenyl)propiophenone
• Molecular Formula: C₁₈H₁₇NO
• Molecular Weight: 263.33
• CAS Registry Number: 898769-14-7
• SMILES: Cc2c(C)cccc2CCC(=O)c1cccc(C#N)c1
• InChI: 1S/C18H17NO/c1-13-5-3-7-16(14(13)2)9-10-18(20)17-8-4-6-15(11-17)12-19/h3-8,11H,9-10H2,1-2H3
• InChIKey: KGHJQVWKEMDCIP-UHFFFAOYSA-N

Properties

• Density: 1.106g/cm³ (Cal.)
• Boiling point: 449.865°C at 760 mmHg (Cal.)
• Flash point: 225.87°C (Cal.)
• Refractive index: 1.58 (Cal.)