2-({5-(6-Chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanone
[CAS# 680217-03-2]

Identification

• Name: 2-({5-(6-Chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanone
• Synonyms: 2-((5-(6-CHLORO-3-PYRIDYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-ONE; 2-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-1-[3-(trifluoromethyl)phenyl]ethan-1-one
• Molecular Formula: C₂₃H₁₃ClF₆N₄OS
• Molecular Weight: 542.88
• CAS Registry Number: 680217-03-2
• SMILES: O=C(c1cccc(c1)C(F)(F)F)CSc2nnc(n2c3cc(ccc3)C(F)(F)F)c4ccc(Cl)nc4
• InChI: 1S/C23H13ClF6N4OS/c24-19-8-7-14(11-31-19)20-32-33-21(34(20)17-6-2-5-16(10-17)23(28,29)30)36-12-18(35)13-3-1-4-15(9-13)22(25,26)27/h1-11H,12H2
• InChIKey: CARZEUYGXSYCEI-UHFFFAOYSA-N

Properties

• Density: 1.498g/cm³ (Cal.)
• Boiling point: 623.03°C at 760 mmHg (Cal.)
• Flash point: 330.597°C (Cal.)
• Refractive index: 1.606 (Cal.)