1H-1,2,4-Triazole-3-carboxylic acid
- Product Name1H-1,2,4-Triazole-3-carboxylic acid
- CAS4928-87-4
- MFC3H3N3O2
- MW113.07
- EINECS225-564-7
- MOL File4928-87-4.mol
Chemical Properties
| Melting point | 132-136 °C |
| Boiling point | 444.6±28.0 °C(Predicted) |
| Density | 1.694±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Aqueous Base (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly, Heated, |
| form | Powder |
| pka | 10.78±0.20(Predicted) |
| color | White to pale brown |
| InChI | InChI=1S/C3H3N3O2/c7-3(8)2-4-1-5-6-2/h1H,(H,7,8)(H,4,5,6) |
| InChIKey | LJVQHXICFCZRJN-UHFFFAOYSA-N |
| SMILES | N1C(C(O)=O)=NC=N1 |
| CAS DataBase Reference | 4928-87-4(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
