1H-1,2,4-Triazole-5-carboxylic acid
[CAS# 68984-31-6]

Identification

• Name: 1H-1,2,4-Triazole-5-carboxylic acid
• Synonyms: "1H-[1,2,4]Triazole-3-carboxylic acid "; 1,2,4-TRIAZOLE-5-CARBOXYLIC ACID; 1H-[1,2,4]Triazole-3-carboxylic acid
• Molecular Formula: C₃H₃N₃O₂
• Molecular Weight: 113.07
• CAS Registry Number: 68984-31-6
• SMILES: O=C(O)c1ncnn1
• InChI: 1S/C3H3N3O2/c7-3(8)2-4-1-5-6-2/h1H,(H,7,8)(H,4,5,6)
• InChIKey: LJVQHXICFCZRJN-UHFFFAOYSA-N

Properties

• Density: 1.694g/cm³ (Cal.)
• Melting point: 132-136°C (Expl.)
• Boiling point: 444.644°C at 760 mmHg (Cal.)
• Flash point: 222.713°C (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Vahid Safarifard and Ali Morsali. Reversible crystal-to-crystal transformation of a 3D–3D coordination polymer by solid state anion-replacement with no change in nano-particle morphology, CrystEngComm, 2011, 13, 4817.