2-(1H-1,2,4-Triazol-1-Ylmethyl)-1H-Benzimidazole
[CAS# 338418-54-5]

Identification

• Name: 2-(1H-1,2,4-Triazol-1-Ylmethyl)-1H-Benzimidazole
• Synonyms: 2-((1H-1,2,4-triazol-1-yl)methyl)-1H-benzo[d]imidazole; 2-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,3-benzimidazole
• Molecular Formula: C₁₀H₉N₅
• Molecular Weight: 199.21
• CAS Registry Number: 338418-54-5
• SMILES: C1=CC=C2C(=C1)NC(=N2)CN3C=NC=N3
• InChI: 1S/C10H9N5/c1-2-4-9-8(3-1)13-10(14-9)5-15-7-11-6-12-15/h1-4,6-7H,5H2,(H,13,14)
• InChIKey: QTGTWRQAEQEXKD-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 106-108°C (Expl.)
• Boiling point: 517.1±52.0°C at 760 mmHg (Cal.)
• Flash point: 266.5±30.7°C (Cal.)
• Refractive index: 1.769 (Cal.)