2-Bromo-1-(4-methyl-4H-1,2,4-triazol-3-yl)-1-propanone
[CAS# 790185-42-1]

Identification

• Name: 2-Bromo-1-(4-methyl-4H-1,2,4-triazol-3-yl)-1-propanone
• Synonyms: 2-bromo-1-(4-methyl-4H-1,2,4-triazol-3-yl)propan-1-one
• Molecular Formula: C₆H₈BrN₃O
• Molecular Weight: 218.05
• CAS Registry Number: 790185-42-1
• SMILES: CC(C(=O)c1nncn1C)Br
• InChI: 1S/C6H8BrN3O/c1-4(7)5(11)6-9-8-3-10(6)2/h3-4H,1-2H3
• InChIKey: AKGFXOXWJBHPAF-UHFFFAOYSA-N

Properties

• Density: 1.692g/cm³ (Cal.)
• Boiling point: 318.572°C at 760 mmHg (Cal.)
• Flash point: 146.467°C (Cal.)
• Refractive index: 1.628 (Cal.)