5-(4-Bromophenyl)-4-Methyl-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
[CAS# 494194-50-2]

Identification

• Name: 5-(4-Bromophenyl)-4-Methyl-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
• Synonyms: 3-(4-bromophenyl)-4-methyl-1H-1,2,4-triazole-5(4H)-thione; 5-(4-bromophenyl)-4-methyl-1,2,4-triazole-3-thiol; 5-(4-Bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₉H₈BrN₃S
• Molecular Weight: 270.15
• CAS Registry Number: 494194-50-2
• SMILES: S=C1N(C(=N/N1)\c2ccc(Br)cc2)C
• InChI: 1S/C9H8BrN3S/c1-13-8(11-12-9(13)14)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,12,14)
• InChIKey: FHXAECCDIGEICD-UHFFFAOYSA-N

Properties

• Density: 1.678g/cm³ (Cal.)
• Melting point: 246-248°C (Expl.)
• Boiling point: 315.409°C at 760 mmHg (Cal.)
• Flash point: 144.554°C (Cal.)
• Refractive index: 1.721 (Cal.)

Safety Data

• Safety Description: IRRITANT