Ethyl 2H-1,2,3-Triazole-4-Carboxylate
[CAS 272123-45-2]

Identification

• Name: Ethyl 2H-1,2,3-Triazole-4-Carboxylate
• Synonyms: 1H-1,2,3-Triazole-4-carboxylic acid, ethyl ester; ethyl 1H-1,2,3-triazole-4-carboxylate; Ethyl 2H-1,2,3-triazole-4-carboxylate
• Molecular Formula: C₅H₇N₃O₂
• Molecular Weight: 141.13
• CAS Registry Number: 272123-45-2
• SMILES: O=C(OCC)c1nnnc1
• InChI: 1S/C5H7N3O2/c1-2-10-5(9)4-3-6-8-7-4/h3H,2H2,1H3,(H,6,7,8)
• InChIKey: BMGCDMZWMQQHMI-UHFFFAOYSA-N

Properties

• Density: 1.3g/cm³ (Cal.)
• Boiling point: 284.703°C at 760 mmHg (Cal.)
• Flash point: 125.984°C (Cal.)
• Refractive index: 1.525 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370