alpha-(2,4-Difluorophenyl)-alpha-(4H-1,2,4-triazol-4-ylmethyl)-1H-1,2,4-triazole-1-ethanol
- Product Namealpha-(2,4-Difluorophenyl)-alpha-(4H-1,2,4-triazol-4-ylmethyl)-1H-1,2,4-triazole-1-ethanol
- CAS89429-59-4
- CBNumberCB92534616
- MFC13H12F2N6O
- MW306.27
- MDL NumberMFCD15144655
- MOL File89429-59-4.mol
- MSDS FileSDS
Chemical Properties
| Melting point | >95°C (dec.) |
| Boiling point | 579.764±60.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.49 |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 11.013±0.29(predicted) |
| color | Off-White to Pale Beige |
| Stability | Light Sensitive |
| Major Application | pharmaceutical |
| InChI | 1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-17-18-9-20)5-21-7-16-6-19-21/h1-3,6-9,22H,4-5H2 |
| InChIKey | SAXXZPKHUDPGQQ-UHFFFAOYSA-N |
| SMILES | Fc1c(ccc(c1)F)C(O)(C[n]3ncnc3)C[n]2cnnc2 |
| FDA UNII | 9T59BRP61E |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H319 |
| Precautionary statements | P264-P280-P305+P351+P338-P337+P313 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 |