1-[(1E)-1,3-Butadien-1-Yl]-1H-1,2,4-Triazole
[CAS# 122535-72-2]

Identification

• Name: 1-[(1E)-1,3-Butadien-1-Yl]-1H-1,2,4-Triazole
• Synonyms: (E)-1-(buta-1,3-dien-1-yl)-1H-1,2,4-triazole
• Molecular Formula: C₆H₇N₃
• Molecular Weight: 121.14
• CAS Registry Number: 122535-72-2
• SMILES: C=C/C=C/N1C=NC=N1
• InChI: 1S/C6H7N3/c1-2-3-4-9-6-7-5-8-9/h2-6H,1H2/b4-3+
• InChIKey: SIHLKHFJYMLROJ-ONEGZZNKSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 242.9±23.0°C at 760 mmHg (Cal.)
• Flash point: 100.7±22.6°C (Cal.)
• Refractive index: 1.539 (Cal.)