2-(4-Fluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol , 95+% , 81886-51-3

Synonym(s):
2-(4-Fluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol;2-(4-fluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-propan-2-ol

CAS NO.：81886-51-3

Empirical Formula: C13H13FN6O

Molecular Weight: 288.28

MDL number:

PRODUCT Properties

• Melting point: 123-125°C
• Boiling point: 577.5±60.0 °C(Predicted)
• Density: 1.42
• storage temp.: 2-8°C
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 11.49±0.29(Predicted)
• color: White to Off-White
• Major Application: pharmaceutical (small molecule)
• InChI: 1S/C13H13FN6O/c14-12-3-1-11(2-4-12)13(21,5-19-9-15-7-17-19)6-20-10-16-8-18-20/h1-4,7-10,21H,5-6H2
• InChIKey: HUEOBFHUKGPCHO-UHFFFAOYSA-N
• SMILES: Fc1ccc(cc1)C(O)(C[n]3ncnc3)C[n]2ncnc2

Description and Uses

2-Desfluoro Fluconazole (Fluconazole EP Impurity D) is an impurity of the antifungal agent Fluconazole (F421000).

Safety

• Symbol(GHS): GHS07,GHS08
• Signal word: Danger
• Hazard statements: H302-H360D-H412
• Precautionary statements: P202-P264-P270-P273-P301+P312-P308+P313
• WGK Germany: 3
• HS Code: 2933997500
• Storage Class: 6.1C - Combustible acute toxic Cat.3; toxic compounds or compounds which causing chronic effects
• Hazard Classifications: Acute Tox. 4 Oral; Aquatic Chronic 3; Repr. 1B