3-Isobutyl-5-isopropyl-1H-1,2,4-triazole
[CAS# 99066-16-7]

Identification

• Name: 3-Isobutyl-5-isopropyl-1H-1,2,4-triazole
• Synonyms: 1H-1,2,4-Triazole, 3-(1-methylethyl)-5-(2-methylpropyl)-; 3-Isobutyl-5-isopropyl-1H-1,2,4-triazol; 3-Isobutyl-5-isopropyl-1H-1,2,4-triazole
• Molecular Formula: C₉H₁₇N₃
• Molecular Weight: 167.25
• CAS Registry Number: 99066-16-7
• SMILES: CC(C)Cc1[nH]nc(n1)C(C)C
• InChI: 1S/C9H17N3/c1-6(2)5-8-10-9(7(3)4)12-11-8/h6-7H,5H2,1-4H3,(H,10,11,12)
• InChIKey: YNYBGYJEMRELEH-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 296.7±23.0°C at 760 mmHg (Cal.)
• Flash point: 127.3±15.6°C (Cal.)