870704-00-0
| Name | 5-(4-CHLOROPHENYL)ISOXAZOLE-3-PROPIONIC& |
| CAS | 870704-00-0 |
| Molecular Formula | C12H10ClNO3 |
| MDL Number | MFCD08276789 |
| Molecular Weight | 251.67 |
| MOL File | 870704-00-0.mol |
Chemical Properties
| Melting point | 159-163 °C |
| Boiling point | 445.1±35.0 °C(Predicted) |
| density | 1.348±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 4.24±0.10(Predicted) |
| InChI | 1S/C12H10ClNO3/c13-9-3-1-8(2-4-9)11-7-10(14-17-11)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16) |
| InChIKey | RHKHSBMLUYKYIZ-UHFFFAOYSA-N |
| SMILES | OC(=O)CCc1cc(on1)-c2ccc(Cl)cc2 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| WGK Germany | 3 |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |