4,5-Bis(4-Fluorophenyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 54543-38-3]

Identification

• Name: 4,5-Bis(4-Fluorophenyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: Zinc03336023
• Molecular Formula: C₁₄H₉F₂N₃S
• Molecular Weight: 289.30
• CAS Registry Number: 54543-38-3
• SMILES: C1=CC(=CC=C1F)N2C(=S)NN=C2C3=CC=C(F)C=C3
• InChI: 1S/C14H9F2N3S/c15-10-3-1-9(2-4-10)13-17-18-14(20)19(13)12-7-5-11(16)6-8-12/h1-8H,(H,18,20)
• InChIKey: ATGAVTDHMVBXRF-UHFFFAOYSA-N

Properties

• Density: 1.396g/cm³ (Cal.)
• Boiling point: 377.788°C at 760 mmHg (Cal.)
• Flash point: 182.28°C (Cal.)