3-(3-Chloro-phenyl)-isoxazole-5-carboxylic acid
- Product Name3-(3-Chloro-phenyl)-isoxazole-5-carboxylic acid
- CAS100517-43-9
- MFC10H6ClNO3
- MW223.61
- EINECS
- MOL File100517-43-9.mol
Chemical Properties
| Boiling point | 462.2±35.0 °C(Predicted) |
| Density | 1.440±0.06 g/cm3(Predicted) |
| pka | 2.14±0.10(Predicted) |
| form | solid |
| InChI | 1S/C10H6ClNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14) |
| InChIKey | HNYLKRYOMWDUOY-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc(no1)-c2cccc(Cl)c2 |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |