1-(5-Amino-1H-1,2,4-Triazol-1-Yl)-2,2,2-Trichloroethanone
[CAS# 299969-02-1]

Identification

• Name: 1-(5-Amino-1H-1,2,4-Triazol-1-Yl)-2,2,2-Trichloroethanone
• Synonyms: 1-(5-amino-1H-1,2,4-triazol-1-yl)-2,2,2-trichloroethanone
• Molecular Formula: C₄H₃Cl₃N₄O
• Molecular Weight: 229.45
• CAS Registry Number: 299969-02-1
• SMILES: c1nc(n(n1)C(=O)C(Cl)(Cl)Cl)N
• InChI: 1S/C4H3Cl3N4O/c5-4(6,7)2(12)11-3(8)9-1-10-11/h1H,(H2,8,9,10)
• InChIKey: IQTFFFFSDIVFAB-UHFFFAOYSA-N

Properties

• Density: 1.978g/cm³ (Cal.)
• Boiling point: 338.668°C at 760 mmHg (Cal.)
• Flash point: 158.621°C (Cal.)
• Refractive index: 1.715 (Cal.)