5-(3-Bromophenyl)-1H-1,2,4-Triazole-3-Thiol
[CAS# 126651-85-2]

Identification

• Name: 5-(3-Bromophenyl)-1H-1,2,4-Triazole-3-Thiol
• Synonyms: 3-(3-bromophenyl)-1,2,4-triazoline-5-thione; 3-(3-bromophenyl)-1H-1,2,4-triazole-5(4H)-thione; 5-(3-Bromo-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione
• Molecular Formula: C₈H₆BrN₃S
• Molecular Weight: 256.12
• CAS Registry Number: 126651-85-2
• SMILES: C1=CC(=CC(=C1)Br)C2=NC(=NN2)S
• InChI: 1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
• InChIKey: ALETZOQAGIEADS-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 437.0±47.0°C at 760 mmHg (Cal.)
• Flash point: 218.1±29.3°C (Cal.)
• Refractive index: 1.7 (Cal.)

Safety Data

• Safety Description: IRRITANT