3-(2-Pyridinylcarbonyl)benzonitrile
[CAS# 898779-84-5]

Identification

• Name: 3-(2-Pyridinylcarbonyl)benzonitrile
• Synonyms: 2-(3-Cyanobenzoyl)pyridine; MFCD07699242
• Molecular Formula: C₁₃H₈N₂O
• Molecular Weight: 208.22
• CAS Registry Number: 898779-84-5
• SMILES: O=C(c1cccc(C#N)c1)c2ccccn2
• InChI: 1S/C13H8N2O/c14-9-10-4-3-5-11(8-10)13(16)12-6-1-2-7-15-12/h1-8H
• InChIKey: XWRQAJFQCTZUJA-UHFFFAOYSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 390.603°C at 760 mmHg (Cal.)
• Flash point: 190.03°C (Cal.)
• Refractive index: 1.62 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE