3-[3-(2,5-Dimethylphenyl)propanoyl]benzonitrile
[CAS# 898794-88-2]

Identification

• Name: 3-[3-(2,5-Dimethylphenyl)propanoyl]benzonitrile
• Synonyms: 3'-cyano-3-(2,5-dimethylphenyl)propiophenone
• Molecular Formula: C₁₈H₁₇NO
• Molecular Weight: 263.33
• CAS Registry Number: 898794-88-2
• SMILES: N#Cc1cccc(c1)C(=O)CCc2cc(C)ccc2C
• InChI: 1S/C18H17NO/c1-13-6-7-14(2)16(10-13)8-9-18(20)17-5-3-4-15(11-17)12-19/h3-7,10-11H,8-9H2,1-2H3
• InChIKey: SLKIPABONSDONG-UHFFFAOYSA-N

Properties

• Density: 1.106g/cm³ (Cal.)
• Boiling point: 444.664°C at 760 mmHg (Cal.)
• Flash point: 222.725°C (Cal.)
• Refractive index: 1.58 (Cal.)