5-Methyl-4-isoxazolecarboxylic acid
- Product Name5-Methyl-4-isoxazolecarboxylic acid
- CAS42831-50-5
- MFC5H5NO3
- MW127.1
- EINECS700-400-1
- MOL File42831-50-5.mol
Chemical Properties
| Melting point | 144-148 °C(lit.) |
| Boiling point | 308.3±22.0 °C(Predicted) |
| Density | 1.348±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 2.85±0.25(Predicted) |
| color | White to Pale Brown |
| BRN | 116000 |
| InChI | 1S/C5H5NO3/c1-3-4(5(7)8)2-6-9-3/h2H,1H3,(H,7,8) |
| InChIKey | VQBXUKGMJCPBMF-UHFFFAOYSA-N |
| SMILES | Cc1oncc1C(O)=O |
| CAS DataBase Reference | 42831-50-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,F |
| Risk Statements | 36/37/38-37/38-36-10 |
| Safety Statements | 22-26-36/37/39-36-16 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29349990 |
| Storage Class | 11 - Combustible Solids |