4-(1H-1,2,4-Triazol-5-yl)benzoic acid
[CAS# 876715-40-1]

Identification

• Name: 4-(1H-1,2,4-Triazol-5-yl)benzoic acid
• Synonyms: 4-(1H-1,2,4-triazol-5-yl)benzoic acid; 4-(2H-[1,2,4]Triazol-3-yl)-benzoic acid; 4-(2H-[1,2,4]Triazol-3-yl)-benzoicacid
• Molecular Formula: C₉H₇N₃O₂
• Molecular Weight: 189.17
• CAS Registry Number: 876715-40-1
• SMILES: O=C(O)c2ccc(c1ncnn1)cc2
• InChI: 1S/C9H7N3O2/c13-9(14)7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,(H,13,14)(H,10,11,12)
• InChIKey: BNQHSXYQJHXBMM-UHFFFAOYSA-N

Properties

• Density: 1.433g/cm³ (Cal.)
• Boiling point: 466.771°C at 760 mmHg (Cal.)
• Flash point: 236.095°C (Cal.)
• Refractive index: 1.654 (Cal.)

Safety Data

• Safety Description: IRRITANT