3-(4H-1,2,4-Triazol-4-Yl)Benzoic Acid
[CAS# 335255-80-6]

Identification

• Name: 3-(4H-1,2,4-Triazol-4-Yl)Benzoic Acid
• Synonyms: 3-(1,2,4-triazol-4-yl)benzoic acid; 3-(4H-1,2,4-triazol-4-yl)benzoic acid; 3-[1,2,4]Triazol-4-yl-benzoic acid
• Molecular Formula: C₉H₇N₃O₂
• Molecular Weight: 189.17
• CAS Registry Number: 335255-80-6
• SMILES: O=C(O)c1cccc(c1)n2cnnc2
• InChI: 1S/C9H7N3O2/c13-9(14)7-2-1-3-8(4-7)12-5-10-11-6-12/h1-6H,(H,13,14)
• InChIKey: CFDCJKUCKNZXBW-UHFFFAOYSA-N

Properties

• Density: 1.399g/cm³ (Cal.)
• Boiling point: 449.856°C at 760 mmHg (Cal.)
• Flash point: 225.865°C (Cal.)
• Refractive index: 1.673 (Cal.)

Safety Data

• Safety Description: IRRITANT