4-[3-(2,5-Dimethylphenyl)propanoyl]benzonitrile
[CAS# 898794-90-6]

Identification

• Name: 4-[3-(2,5-Dimethylphenyl)propanoyl]benzonitrile
• Synonyms: 4'-cyano-3-(2,5-dimethylphenyl)propiophenone
• Molecular Formula: C₁₈H₁₇NO
• Molecular Weight: 263.33
• CAS Registry Number: 898794-90-6
• SMILES: N#Cc1ccc(cc1)C(=O)CCc2cc(C)ccc2C
• InChI: 1S/C18H17NO/c1-13-3-4-14(2)17(11-13)9-10-18(20)16-7-5-15(12-19)6-8-16/h3-8,11H,9-10H2,1-2H3
• InChIKey: NMZSPIWWJPQPFH-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.)