4-(1,2,4-TRIAZOL-1-YL)PHENOL
- Product Name4-(1,2,4-TRIAZOL-1-YL)PHENOL
- CAS68337-15-5
- MFC8H7N3O
- MW161.16
- EINECS269-845-2
- MOL File68337-15-5.mol
Chemical Properties
| Melting point | 254-257 °C |
| Boiling point | 287.45°C (rough estimate) |
| Density | 1.2558 (rough estimate) |
| refractive index | 1.6500 (estimate) |
| storage temp. | 2-8°C, stored under nitrogen |
| solubility | DMSO (Slightly), Methanol (Slightly, Sonicated) |
| form | Solid |
| pka | 9.09±0.26(Predicted) |
| color | Pale Brown to Light Brown |
| BRN | 608492 |
| InChI | 1S/C8H7N3O/c12-8-3-1-7(2-4-8)11-6-9-5-10-11/h1-6,12H |
| InChIKey | ZOPIBCDDKMAEII-UHFFFAOYSA-N |
| SMILES | Oc1ccc(cc1)-n2cncn2 |
| CAS DataBase Reference | 68337-15-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 24/25 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |