5-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
[CAS# 80590-50-7]

Identification

• Name: 5-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-(2-chlorophenyl)-4-methyl-1,2,4-triazole-3-thiol; 5-(2-Chloro-phenyl)-4-methyl-2,4-dihydro-[1,2,4]triazole-3-thione; 5-(2-chlorophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₉H₈ClN₃S
• Molecular Weight: 225.70
• CAS Registry Number: 80590-50-7
• SMILES: CN1C(=NN=C1S)C2=CC=CC=C2Cl
• InChI: 1S/C9H8ClN3S/c1-13-8(11-12-9(13)14)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,12,14)
• InChIKey: DNWADAKXAKNOFG-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 399.3±44.0°C at 760 mmHg (Cal.)
• Flash point: 195.3±28.4°C (Cal.)

Safety Data

• Safety Description: IRRITANT