1-Benzyl-1,2,3-Triazole-4,5-Dicarboxylic Acid
[CAS# 73953-89-6]

Identification

• Name: 1-Benzyl-1,2,3-Triazole-4,5-Dicarboxylic Acid
• Synonyms: 1-(Benzyl)Triazole-4,5-Dicarboxylate; 1-(Phenylmethyl)-1,2,3-Triazole-4,5-Dicarboxylate; Zinc00085616
• Molecular Formula: C₁₁H₇N₃O₄
• Molecular Weight: 245.19
• CAS Registry Number: 73953-89-6
• SMILES: C2=C(C[N]1N=NC(=C1C([O-])=O)C([O-])=O)C=CC=C2
• InChI: 1S/C11H9N3O4/c15-10(16)8-9(11(17)18)14(13-12-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)/p-2
• InChIKey: IYYBUXUZYWGZGB-UHFFFAOYSA-L

Properties

• Boiling point: 558.528°C at 760 mmHg (Cal.)
• Flash point: 291.587°C (Cal.)