13271-86-8
| Name | Isoxazole, 3-(4-methylphenyl)- (9CI) |
| CAS | 13271-86-8 |
| Molecular Formula | C10H9NO |
| MDL Number | MFCD08446382 |
| Molecular Weight | 159.18 |
| MOL File | 13271-86-8.mol |
Chemical Properties
| Melting point | 54-55 °C |
| Boiling point | 290.0±9.0 °C(Predicted) |
| density | 1.082±0.06 g/cm3(Predicted) |
| form | solid |
| pka | -2.58±0.50(Predicted) |
| InChI | 1S/C10H9NO/c1-8-2-4-9(5-3-8)10-6-7-12-11-10/h2-7H,1H3 |
| InChIKey | BRTGAZAKSSGEBJ-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)-c2ccon2 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |