1,2,4-Triazole-1-acetic acid
- Product Name1,2,4-Triazole-1-acetic acid
- CAS28711-29-7
- CBNumberCB0148229
- MFC4H5N3O2
- MW127.1
- MDL NumberMFCD00036051
- MOL File28711-29-7.mol
Chemical Properties
| Melting point: | 201-205℃ |
| Boiling point: | 376.9±44.0 °C(Predicted) |
| Density | 1.53±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| solubility | DMSO (Sparingly), Methanol (Slightly) |
| form | solid |
| pka | 3.27±0.12(Predicted) |
| color | Faint brown |
| Water Solubility | Soluble in water. |
| InChI | 1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)/p-1 |
| InChIKey | RXDBSQXFIWBJSR-UHFFFAOYSA-M |
| SMILES | [n]1(ncnc1)CC(=O)[O-] |
| CAS DataBase Reference | 28711-29-7(CAS DataBase Reference) |
| EPA Substance Registry System | 1H-1,2,4-Triazole-1-acetic acid (28711-29-7) |
Safety
| Symbol(GHS) |
|
|||||||||
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P280g-P305+P351+P338 | |||||||||
| Hazard Codes | C,Xi | |||||||||
| WGK Germany | WGK 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2933990099 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
|