FLUCONAZOLE RELATED COMPOUND B (10 MG) (2-(4-FLUOROPHENYL)-1,3-BIS(1 H-1,2,4-TRIAZOL-1 -YL)-PROPAN-2-OL)
- Product NameFLUCONAZOLE RELATED COMPOUND B (10 MG) (2-(4-FLUOROPHENYL)-1,3-BIS(1 H-1,2,4-TRIAZOL-1 -YL)-PROPAN-2-OL)
- CAS81886-51-3
- MFC13H13FN6O
- MW288.28
- EINECS
- MOL File81886-51-3.mol
Chemical 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 |
Safety Information
| 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 |
