3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
- Product Name3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
- CAS40704-11-8
- MFC5H6N2O2
- MW126.11
- EINECS
- MOL File40704-11-8.mol
Chemical Properties
| Melting point | 225-230 °C (dec.) (lit.) |
| Boiling point | 384.2±22.0 °C(Predicted) |
| Density | 1.404±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C(protect from light) |
| form | solid |
| pka | 14.56±0.50(Predicted) |
| Appearance | Light yellow to brown Solid |
| InChI | InChI=1S/C5H6N2O2/c1-3-4(5(8)9)2-6-7-3/h2H,1H3,(H,6,7)(H,8,9) |
| InChIKey | HLYYXPDTFLUERX-UHFFFAOYSA-N |
| SMILES | N1C=C(C(O)=O)C(C)=N1 |
| CAS DataBase Reference | 40704-11-8(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 2933199090 |
| Storage Class | 11 - Combustible Solids |
