4-[(2-Chloro-3-pyridinyl)carbonyl]benzonitrile
[CAS# 890100-45-5]

Identification

• Name: 4-[(2-Chloro-3-pyridinyl)carbonyl]benzonitrile
• Synonyms: 2-chloro-3-(4-cyanobenzoyl)pyridine
• Molecular Formula: C₁₃H₇ClN₂O
• Molecular Weight: 242.66
• CAS Registry Number: 890100-45-5
• SMILES: O=C(c1cccnc1Cl)c2ccc(C#N)cc2
• InChI: 1S/C13H7ClN2O/c14-13-11(2-1-7-16-13)12(17)10-5-3-9(8-15)4-6-10/h1-7H
• InChIKey: KJXQJPSYRHMEPU-UHFFFAOYSA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 439.195°C at 760 mmHg (Cal.)
• Flash point: 219.418°C (Cal.)
• Refractive index: 1.632 (Cal.)