2-[3-(2,3-Dimethylphenyl)propanoyl]benzonitrile
[CAS# 898769-11-4]

Identification

• Name: 2-[3-(2,3-Dimethylphenyl)propanoyl]benzonitrile
• Synonyms: 2'-cyano-3-(2,3-dimethylphenyl)propiophenone
• Molecular Formula: C₁₈H₁₇NO
• Molecular Weight: 263.33
• CAS Registry Number: 898769-11-4
• SMILES: Cc2c(C)cccc2CCC(=O)c1ccccc1C#N
• InChI: 1S/C18H17NO/c1-13-6-5-8-15(14(13)2)10-11-18(20)17-9-4-3-7-16(17)12-19/h3-9H,10-11H2,1-2H3
• InChIKey: YUCFDCNTUFZNJM-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.)