4-(4H-1,2,4-Triazol-4-yl)benzoic acid

• CAS: 157069-48-2
• Catalog Number: ACM157069482-2
• Category: Other Products
• Molecular Weight: 188.17
• Molecular Formula: C9H7N3O2
• Synonyms: 4-(p-Carboxyphenyl)-1,2,4-triazole
• IUPAC Name: 4-(1,2,4-triazol-4-yl)benzoic acid
• Canonical SMILES: C1=CC(=CC=C1C(=O)O)N2C=NN=C2
• InChI Key: QCNDLFQKKMPZKH-UHFFFAOYSA-N
• Boiling Point: 424.1 ºC at 760 mmHg
• Flash Point: 210.3 ºC
• Density: 1.39g/cm³
• Exact Mass: 189.05400
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Synthetic Use

Upstream Synthesis Route 1

• 150-13-0
• 122-51-0
• 624-84-0

• 157069-48-2

Reference: [1]Zou, Ru-Qiang; Cai, Li-Zhen; Guo, Guo-Cong
[Journal of Molecular Structure, 2005, vol. 737, # 2-3, p. 125 - 129]