2-(Chloroacetyl)-1,5,6,7-Tetrahydro[1,2,4]Triazolo[4,3-a]Pyrimidin-3(2H)-One
[CAS# 108735-50-8]

Identification

• Name: 2-(Chloroacetyl)-1,5,6,7-Tetrahydro[1,2,4]Triazolo[4,3-a]Pyrimidin-3(2H)-One
• Synonyms: 2-(2-chloroacetyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
• Molecular Formula: C₇H₉ClN₄O₂
• Molecular Weight: 216.63
• CAS Registry Number: 108735-50-8
• SMILES: C1CNc2nn(c(=O)n2C1)C(=O)CCl
• InChI: 1S/C7H9ClN4O2/c8-4-5(13)12-7(14)11-3-1-2-9-6(11)10-12/h1-4H2,(H,9,10)
• InChIKey: VWLYXHMXGKJLCY-UHFFFAOYSA-N

Properties

• Density: 1.759g/cm³ (Cal.)
• Boiling point: 305.433°C at 760 mmHg (Cal.)
• Flash point: 138.521°C (Cal.)
• Refractive index: 1.747 (Cal.)