5-[(4-Methoxybenzyl)Sulfanyl]-1H-1,2,4-Triazole
[CAS# 17357-75-4]

Identification

• Name: 5-[(4-Methoxybenzyl)Sulfanyl]-1H-1,2,4-Triazole
• Synonyms: 3-((4-methoxybenzyl)thio)-1H-1,2,4-triazole; 3-(4-Methoxybenzylsulfanyl)-4H-[1,2,4]triazole; 3-(4-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole
• Molecular Formula: C₁₀H₁₁N₃OS
• Molecular Weight: 221.28
• CAS Registry Number: 17357-75-4
• SMILES: COC1=CC=C(C=C1)CSC2=NNC=N2
• InChI: 1S/C10H11N3OS/c1-14-9-4-2-8(3-5-9)6-15-10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13)
• InChIKey: KFYAPEBBSZVGIF-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 85-87°C (Expl.)
• Boiling point: 428.9±47.0°C at 760 mmHg (Cal.)
• Flash point: 213.2±29.3°C (Cal.)
• Refractive index: 1.63 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT