5-(4-Chlorobenzyl)-4-Ethyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 31405-23-9]

Identification

• Name: 5-(4-Chlorobenzyl)-4-Ethyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-(4-Chlorobenzyl)-4-ethyl-4H-1,2,4-triazole-3-thiol; 5-[(4-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole-3-thiol; MFCD03900745
• Molecular Formula: C₁₁H₁₂ClN₃S
• Molecular Weight: 253.75
• CAS Registry Number: 31405-23-9
• SMILES: CCN1C(=NN=C1S)CC2=CC=C(C=C2)Cl
• InChI: 1S/C11H12ClN3S/c1-2-15-10(13-14-11(15)16)7-8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,14,16)
• InChIKey: MHQJBBXIVRRAOJ-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 428.1±47.0°C at 760 mmHg (Cal.)
• Flash point: 212.7±29.3°C (Cal.)

Safety Data

• Safety Description: IRRITANT