3-(5-Cyanopentanoyl)benzonitrile
[CAS# 898767-62-9]

Identification

• Name: 3-(5-Cyanopentanoyl)benzonitrile
• Synonyms: 6-(3-cyanophenyl)-6-oxohexanenitrile
• Molecular Formula: C₁₃H₁₂N₂O
• Molecular Weight: 212.25
• CAS Registry Number: 898767-62-9
• SMILES: N#Cc1cccc(c1)C(=O)CCCCC#N
• InChI: 1S/C13H12N2O/c14-8-3-1-2-7-13(16)12-6-4-5-11(9-12)10-15/h4-6,9H,1-3,7H2
• InChIKey: XLPCQYSHJAOBJE-UHFFFAOYSA-N

Properties

• Density: 1.121g/cm³ (Cal.)
• Boiling point: 431.6°C at 760 mmHg (Cal.)
• Flash point: 214.824°C (Cal.)
• Refractive index: 1.537 (Cal.)