4-Allyl-5-(4-chlorobenzyl)-4H-1,2,4-triazole-3-thiol
[CAS# 667437-95-8]

Identification

• Name: 4-Allyl-5-(4-chlorobenzyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-(4-chlorobenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-[(4-chlorophenyl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol; MFCD03900747
• Molecular Formula: C₁₂H₁₂ClN₃S
• Molecular Weight: 265.76
• CAS Registry Number: 667437-95-8
• SMILES: C=CCN1C(=NN=C1S)CC2=CC=C(C=C2)Cl
• InChI: 1S/C12H12ClN3S/c1-2-7-16-11(14-15-12(16)17)8-9-3-5-10(13)6-4-9/h2-6H,1,7-8H2,(H,15,17)
• InChIKey: TVXKKKRBRPDOED-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 437.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 218.2±31.5°C (Cal.)
• Refractive index: 1.643 (Cal.)

Safety Data

• Safety Description: IRRITANT