4-(1H-1,2,4-Triazol-1-Yl)-Benzoic Acid
[CAS# 162848-16-0]

Identification

• Name: 4-(1H-1,2,4-Triazol-1-Yl)-Benzoic Acid
• Synonyms: Zinc00158898
• Molecular Formula: C₉H₆N₃O₂
• Molecular Weight: 188.17
• CAS Registry Number: 162848-16-0
• SMILES: C2=C([N]1N=CN=C1)C=CC(=C2)C([O-])=O
• InChI: 1S/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-10-5-11-12/h1-6H,(H,13,14)/p-1
• InChIKey: FOMQQGKCPYKKHQ-UHFFFAOYSA-M

Properties

• Boiling point: 424.069°C at 760 mmHg (Cal.)
• Flash point: 210.27°C (Cal.)