2-(2,4-Difluorophenyl)-1,3-Di(1H-1,2,4-Triazol-1-Yl)-2-Propanol
[CAS 123631-92-5]

Identification

• Name: 2-(2,4-Difluorophenyl)-1,3-Di(1H-1,2,4-Triazol-1-Yl)-2-Propanol
• Synonyms: "?-(2,4-difluorophenyl)-?-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol"; ?-(2,4-difluorophenyl)-?-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol; 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
• Molecular Formula: C₁₃H₁₂F₂N₆O
• Molecular Weight: 306.27
• CAS Registry Number: 123631-92-5
• SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
• InChI: 1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
• InChIKey: RFHAOTPXVQNOHP-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 141°C (Expl.)
• Boiling point: 579.8±60.0°C at 760 mmHg (Cal.)
• Flash point: 304.4±32.9°C (Cal.)
• Refractive index: 1.663 (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol

References

• (1): Alex D. Sun and Jennifer A. Love. Cross coupling reactions of polyfluoroarenes via C–F activation, Dalton Trans., 2010, 39, 10362.