4-Allyl-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
[CAS# 91813-57-9]

Identification

• Name: 4-Allyl-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 3-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione; 4-Allyl-5-(4-bromo-phenyl)-4H-[1,2,4]triazole-3-thiol; 5-(4-bromophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₁₁H₁₀BrN₃S
• Molecular Weight: 296.19
• CAS Registry Number: 91813-57-9
• SMILES: C=CCN1C(=NN=C1S)C2=CC=C(C=C2)Br
• InChI: 1S/C11H10BrN3S/c1-2-7-15-10(13-14-11(15)16)8-3-5-9(12)6-4-8/h2-6H,1,7H2,(H,14,16)
• InChIKey: KHZQHKVTLFISSN-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 424.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 210.5±31.5°C (Cal.)

Safety Data

• Safety Description: IRRITANT