4-(5-Cyanopentanoyl)benzonitrile
[CAS# 898767-51-6]

Identification

• Name: 4-(5-Cyanopentanoyl)benzonitrile
• Synonyms: 6-(4-Cyanophenyl)-6-oxohexanenitrile
• Molecular Formula: C₁₃H₁₂N₂O
• Molecular Weight: 212.25
• CAS Registry Number: 898767-51-6
• SMILES: N#Cc1ccc(cc1)C(=O)CCCCC#N
• InChI: 1S/C13H12N2O/c14-9-3-1-2-4-13(16)12-7-5-11(10-15)6-8-12/h5-8H,1-4H2
• InChIKey: NYMMMHHOYAIIQO-UHFFFAOYSA-N

Properties

• Density: 1.121g/cm³ (Cal.)
• Boiling point: 440.908°C at 760 mmHg (Cal.)
• Flash point: 220.453°C (Cal.)
• Refractive index: 1.537 (Cal.)