2-[3-(3,5-Dimethylphenyl)propanoyl]benzonitrile
[CAS# 898780-23-9]

Identification

• Name: 2-[3-(3,5-Dimethylphenyl)propanoyl]benzonitrile
• Synonyms: 2'-cyano-3-(3,5-dimethylphenyl)propiophenone
• Molecular Formula: C₁₈H₁₇NO
• Molecular Weight: 263.33
• CAS Registry Number: 898780-23-9
• SMILES: N#Cc2ccccc2C(=O)CCc1cc(C)cc(C)c1
• InChI: 1S/C18H17NO/c1-13-9-14(2)11-15(10-13)7-8-18(20)17-6-4-3-5-16(17)12-19/h3-6,9-11H,7-8H2,1-2H3
• InChIKey: SFIAPBVXEPAHKO-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.)