2-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
[CAS# 876316-41-5]

Identification

• Name: 2-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
• Synonyms: 2-(1,2,4-triazolylmethyl)benzenecarbonitrile; BENZONITRILE,2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-
• Molecular Formula: C₁₀H₈N₄
• Molecular Weight: 184.20
• CAS Registry Number: 876316-41-5
• SMILES: N#Cc2ccccc2Cn1cncn1
• InChI: 1S/C10H8N4/c11-5-9-3-1-2-4-10(9)6-14-8-12-7-13-14/h1-4,7-8H,6H2
• InChIKey: AFAFVWQAHQRISI-UHFFFAOYSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 392.009°C at 760 mmHg (Cal.)
• Flash point: 190.881°C (Cal.)
• Refractive index: 1.642 (Cal.)