4-(1,2,4-Triazol-1-yl)phenol
- Product Name4-(1,2,4-Triazol-1-yl)phenol
- CAS68337-15-5
- CBNumberCB7716153
- MFC8H7N3O
- MW161.16
- EINECS269-845-2
- MDL NumberMFCD00003096
- 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
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 24/25 | |||||||||
| WGK Germany | WGK 3 | |||||||||
| HS Code | 2933990099 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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