5-[3,5-Bis(Trifluoromethyl)Phenyl]-1,2-Dihydro-3H-1,2,4-Triazole-3-Thione
[CAS# 175276-77-4]

Identification

• Name: 5-[3,5-Bis(Trifluoromethyl)Phenyl]-1,2-Dihydro-3H-1,2,4-Triazole-3-Thione
• Synonyms: 3-(2H)-thione; 3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-5(4H)-thione; 3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazoline-5-thione
• Molecular Formula: C₁₀H₅F₆N₃S
• Molecular Weight: 313.22
• CAS Registry Number: 175276-77-4
• SMILES: S=C2/N=C(/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NN2
• InChI: 1S/C10H5F6N3S/c11-9(12,13)5-1-4(7-17-8(20)19-18-7)2-6(3-5)10(14,15)16/h1-3H,(H2,17,18,19,20)
• InChIKey: LZZXOKHNNFOHDU-UHFFFAOYSA-N

Properties

• Density: 1.67g/cm³ (Cal.)
• Melting point: 280°C (Expl.)
• Boiling point: 267.662°C at 760 mmHg (Cal.)
• Flash point: 115.678°C (Cal.)
• Refractive index: 1.556 (Cal.)

Safety Data

• Safety Description: S24/25,S36/37/39,S45