5-Phenyl-4-isoxazolecarboxylic acid
- Product Name5-Phenyl-4-isoxazolecarboxylic acid
- CAS76344-95-1
- MFC10H7NO3
- MW189.17
- EINECS
- MOL File76344-95-1.mol
Chemical Properties
| Melting point | 151-155 °C (lit.) |
| Boiling point | 372.7±22.0 °C(Predicted) |
| Density | 1.320±0.06 g/cm3(Predicted) |
| pka | 2.48±0.10(Predicted) |
| form | solid |
| InChI | 1S/C10H7NO3/c12-10(13)8-6-11-14-9(8)7-4-2-1-3-5-7/h1-6H,(H,12,13) |
| InChIKey | VUVDFZMYJYNLCH-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cnoc1-c2ccccc2 |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |