5-Nitro-1H-1,2,4-Triazol-3-Amine
[CAS# 218787-13-4]

Identification

• Name: 5-Nitro-1H-1,2,4-Triazol-3-Amine
• Synonyms: 1H-1,2,4-Triazol-3-amine,5-nitro-; 1H-1,2,4-Triazol-5-amine,3-nitro-
• Molecular Formula: C₂H₃N₅O₂
• Molecular Weight: 129.08
• CAS Registry Number: 218787-13-4
• SMILES: C1(=NNC(=N1)[N+](=O)[O-])N
• InChI: 1S/C2H3N5O2/c3-1-4-2(6-5-1)7(8)9/h(H3,3,4,5,6)
• InChIKey: CEYAABCXMIRIGC-UHFFFAOYSA-N

Properties

• Density: 1.9±0.1g/cm³ (Cal.)
• Boiling point: 529.9±33.0°C at 760 mmHg (Cal.)
• Flash point: 274.3±25.4°C (Cal.)
• Refractive index: 1.743 (Cal.)

References

• (1): Thomas M. Klapötke, Andreas Nordheider and Jörg Stierstorfer. Synthesis and reactivity of an unexpected highly sensitive 1-carboxymethyl-3-diazonio-5-nitrimino-1,2,4-triazole, New J. Chem., 2012, 36, 1463.