3-Methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)-1-butanone
[CAS# 959239-60-2]

Identification

• Name: 3-Methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)-1-butanone
• Synonyms: 1-butanone, 3-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl); 1-butanone, 3-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)-; 3-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)-1-butanone
• Molecular Formula: C₈H₁₃N₃O
• Molecular Weight: 167.21
• CAS Registry Number: 959239-60-2
• SMILES: CC(C)CC(=O)C1=NC=NN1C
• InChI: 1S/C8H13N3O/c1-6(2)4-7(12)8-9-5-10-11(8)3/h5-6H,4H2,1-3H3
• InChIKey: NNJQBZQMBOWKAP-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 294.3±23.0°C at 760 mmHg (Cal.)
• Flash point: 131.8±22.6°C (Cal.)
• Refractive index: 1.553 (Cal.)

Safety Data

• Safety Description: IRRITANT