5-(4-Fluorophenyl)-4-Methyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 138417-35-3]

Identification

• Name: 5-(4-Fluorophenyl)-4-Methyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 3-thiol; 5-(4-fluorophenyl)-4-methyl-1,2,4-triazole-3-thiol; 5-(4-fluorophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₉H₈FN₃S
• Molecular Weight: 209.24
• CAS Registry Number: 138417-35-3
• SMILES: CN1C(=NN=C1S)C2=CC=C(C=C2)F
• InChI: 1S/C9H8FN3S/c1-13-8(11-12-9(13)14)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,12,14)
• InChIKey: APKMKRLELRQWEB-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 359.4±44.0°C at 760 mmHg (Cal.)
• Flash point: 171.1±28.4°C (Cal.)
• Refractive index: 1.662 (Cal.)

Safety Data

• Safety Description: IRRITANT