2-Chloro-5-{5-[(4-chlorobenzyl)sulfanyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine
[CAS# 680216-98-2]

Identification

• Name: 2-Chloro-5-{5-[(4-chlorobenzyl)sulfanyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine
• Synonyms: 2-CHLORO-5-(5-[(4-CHLOROBENZYL)THIO]-4-[3-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE; 2-Chloro-5-[(2-methoxy-phenyl)-methyl-sulfamoyl]-benzoic acid; 2-chloro-5-{5-[(4-chlorobenzyl)thio]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}pyridine
• Molecular Formula: C₂₁H₁₃Cl₂F₃N₄S
• Molecular Weight: 481.32
• CAS Registry Number: 680216-98-2
• SMILES: FC(F)(F)c4cc(n2c(nnc2SCc1ccc(Cl)cc1)c3ccc(Cl)nc3)ccc4
• InChI: 1S/C21H13Cl2F3N4S/c22-16-7-4-13(5-8-16)12-31-20-29-28-19(14-6-9-18(23)27-11-14)30(20)17-3-1-2-15(10-17)21(24,25)26/h1-11H,12H2
• InChIKey: FTMLIKPZTGSANN-UHFFFAOYSA-N

Properties

• Density: 1.465g/cm³ (Cal.)
• Boiling point: 617.824°C at 760 mmHg (Cal.)
• Flash point: 327.448°C (Cal.)
• Refractive index: 1.647 (Cal.)