2-[(2R,3R)-3-(2,4-Difluorophenyl)-3-Hydroxy-4-(1,2,4-Triazol-1-Yl)Butan-2-Yl]-4-[4-(2,2,3,3-Tetrafluoropropoxy)Phenyl]-1,2,4-Triazol-3-One
[CAS# 155432-64-7]

Identification

• Name: 2-[(2R,3R)-3-(2,4-Difluorophenyl)-3-Hydroxy-4-(1,2,4-Triazol-1-Yl)Butan-2-Yl]-4-[4-(2,2,3,3-Tetrafluoropropoxy)Phenyl]-1,2,4-Triazol-3-One
• Synonyms: 2-[(1R,2R)-2-(2,4-Difluorophenyl)-2-Hydroxy-1-Methyl-3-(1,2,4-Triazol-1-Yl)Propyl]-4-[4-(2,2,3,3-Tetrafluoropropoxy)Phenyl]-1,2,4-Triazol-3-One; 2-(2-(2,4-Difluorophenyl)-2-Hydroxy-1-Methyl-3-(1H-1,2,4-Triazol-1-Yl)Propyl)-4-(4-(2,2,3,3-Tetrafluoropropoxy)Phenyl)-3(2H,4H)-1,2,4-Triazolone; Aids-094639
• Molecular Formula: C₂₃H₂₀F₆N₆O₃
• Molecular Weight: 542.44
• CAS Registry Number: 155432-64-7
• SMILES: [C@](O)([C@H](N1N=CN(C1=O)C2=CC=C(OCC(F)(F)C(F)F)C=C2)C)(C3=C(F)C=C(F)C=C3)C[N]4N=CN=C4
• InChI: 1S/C23H20F6N6O3/c1-14(22(37,9-33-12-30-11-31-33)18-7-2-15(24)8-19(18)25)35-21(36)34(13-32-35)16-3-5-17(6-4-16)38-10-23(28,29)20(26)27/h2-8,11-14,20,37H,9-10H2,1H3/t14-,22-/m1/s1
• InChIKey: CBHTUKXHISWMTH-JLCFBVMHSA-N

Properties

• Density: 1.494g/cm³ (Cal.)
• Boiling point: 660.381°C at 760 mmHg (Cal.)
• Flash point: 353.186°C (Cal.)