4-(3-Oxocyclohexyl)Benzonitrile
[CAS# 123732-09-2]

Identification

• Name: 4-(3-Oxocyclohexyl)Benzonitrile
• Synonyms: 3-(4-Cyanophenyl)cyclohexanone; 4-(3-oxocyclohexyl)benzonitrile; MFCD03841072
• Molecular Formula: C₁₃H₁₃NO
• Molecular Weight: 199.25
• CAS Registry Number: 123732-09-2
• SMILES: N#Cc1ccc(cc1)C2CC(=O)CCC2
• InChI: 1S/C13H13NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h4-7,12H,1-3,8H2
• InChIKey: YERDBWDYWNZYDJ-UHFFFAOYSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 367.332°C at 760 mmHg (Cal.)
• Flash point: 175.957°C (Cal.)
• Refractive index: 1.558 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE