2-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid
[CAS# 876718-01-3]

Identification

• Name: 2-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid
• Synonyms: 2-((1H-1,2,4-triazol-1-yl)methyl)benzoic acid; 2-(1,2,4-triazolylmethyl)benzoic acid; 2-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid
• Molecular Formula: C₁₀H₉N₃O₂
• Molecular Weight: 203.20
• CAS Registry Number: 876718-01-3
• SMILES: O=C(O)c1ccccc1Cn2ncnc2
• InChI: 1S/C10H9N3O2/c14-10(15)9-4-2-1-3-8(9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)
• InChIKey: KPKNLIVZZRDKGI-UHFFFAOYSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 444.363°C at 760 mmHg (Cal.)
• Flash point: 222.543°C (Cal.)
• Refractive index: 1.651 (Cal.)

Safety Data

• Safety Description: IRRITANT