4-(4-Cyanobutanoyl)benzonitrile
[CAS# 898767-48-1]

Identification

• Name: 4-(4-Cyanobutanoyl)benzonitrile
• Synonyms: 5-(4-Cyanophenyl)-5-oxovaleronitrile
• Molecular Formula: C₁₂H₁₀N₂O
• Molecular Weight: 198.22
• CAS Registry Number: 898767-48-1
• SMILES: N#Cc1ccc(cc1)C(=O)CCCC#N
• InChI: 1S/C12H10N2O/c13-8-2-1-3-12(15)11-6-4-10(9-14)5-7-11/h4-7H,1-3H2
• InChIKey: QODAPABTZAYCQC-UHFFFAOYSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 434.47°C at 760 mmHg (Cal.)
• Flash point: 216.56°C (Cal.)
• Refractive index: 1.543 (Cal.)