1-(3,3-Dimethyl-1-Butyn-1-Yl)-1H-1,2,4-Triazole
[CAS# 107611-25-6]

Identification

• Name: 1-(3,3-Dimethyl-1-Butyn-1-Yl)-1H-1,2,4-Triazole
• Synonyms: 1-(3,3-dimethylbut-1-yn-1-yl)-1H-1,2,4-triazole
• Molecular Formula: C₈H₁₁N₃
• Molecular Weight: 149.19
• CAS Registry Number: 107611-25-6
• SMILES: CC(C)(C)C#Cn1cncn1
• InChI: 1S/C8H11N3/c1-8(2,3)4-5-11-7-9-6-10-11/h6-7H,1-3H3
• InChIKey: UXFWVEQKHWDNCW-UHFFFAOYSA-N

Properties

• Density: 0.958g/cm³ (Cal.)
• Boiling point: 249.979°C at 760 mmHg (Cal.)
• Flash point: 104.984°C (Cal.)
• Refractive index: 1.514 (Cal.)