5-(Trifluoromethyl)-4H-1,2,4-Triazole-3(2H)-Thione Hydrate
[CAS# 68744-64-9]

Identification

• Name: 5-(Trifluoromethyl)-4H-1,2,4-Triazole-3(2H)-Thione Hydrate
• Synonyms: 5-(Trifluoromethyl)-4H-1,2,4-Triazole-3(2H)-Thione; Zinc03861580
• Molecular Formula: C₃H₂F₃N₃S
• Molecular Weight: 169.12
• CAS Registry Number: 68744-64-9
• EINECS: 272-137-6
• SMILES: C1(=NC(=S)NN1)C(F)(F)F
• InChI: 1S/C3H2F3N3S/c4-3(5,6)1-7-2(10)9-8-1/h(H2,7,8,9,10)
• InChIKey: GNXURBGECTYCRJ-UHFFFAOYSA-N

Properties

• Density: 1.686g/cm³ (Cal.)
• Melting point: 161-164°C (Expl.)
• Boiling point: 205.792°C at 760 mmHg (Cal.)
• Flash point: 78.26°C (Cal.)