1-Butyl-4-(Chloroacetyl)-1,4-Dihydro-5H-Tetrazol-5-One
[CAS# 37495-09-3]

Identification

• Name: 1-Butyl-4-(Chloroacetyl)-1,4-Dihydro-5H-Tetrazol-5-One
• Synonyms: 1-butyl-4-(2-chloroacetyl)-1H-tetrazol-5(4H)-one
• Molecular Formula: C₇H₁₁ClN₄O₂
• Molecular Weight: 218.64
• CAS Registry Number: 37495-09-3
• SMILES: CCCCn1c(=O)n(nn1)C(=O)CCl
• InChI: 1S/C7H11ClN4O2/c1-2-3-4-11-7(14)12(10-9-11)6(13)5-8/h2-5H2,1H3
• InChIKey: KGKZKBVQWUZBCK-UHFFFAOYSA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 264.5°C at 760 mmHg (Cal.)
• Flash point: 113.766°C (Cal.)