4-[5-(1H-1,2,4-Triazol-1-Ylmethyl)-1H-1,2,4-Triazol-3-Yl]Pyridine
[CAS# 477852-54-3]

Identification

• Name: 4-[5-(1H-1,2,4-Triazol-1-Ylmethyl)-1H-1,2,4-Triazol-3-Yl]Pyridine
• Synonyms: 1-[(5-(4-pyridyl)-1H-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole; 4-(5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl)pyridine; 4-[3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]pyridine
• Molecular Formula: C₁₀H₉N₇
• Molecular Weight: 227.23
• CAS Registry Number: 477852-54-3
• SMILES: C1=CN=CC=C1C2=NNC(=N2)CN3C=NC=N3
• InChI: 1S/C10H9N7/c1-3-11-4-2-8(1)10-14-9(15-16-10)5-17-7-12-6-13-17/h1-4,6-7H,5H2,(H,14,15,16)
• InChIKey: RBVLQEBVMNFNCU-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 176-178°C (Expl.)
• Boiling point: 573.6±60.0°C at 760 mmHg (Cal.)
• Flash point: 300.7±32.9°C (Cal.)
• Refractive index: 1.806 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin