5-Methyl-3-phenylisoxazole-4-carbonyl chloride
- Product Name5-Methyl-3-phenylisoxazole-4-carbonyl chloride
- CAS16883-16-2
- MFC11H8ClNO2
- MW221.64
- EINECS240-915-4
- MOL File16883-16-2.mol
Chemical Properties
| Melting point | 24 °C |
| Boiling point | 115-117 °C(Press: 3 Torr) |
| Density | 1.27 |
| vapor pressure | 0.007Pa at 25℃ |
| Flash point | >100 |
| solubility | soluble in Methanol |
| form | powder to lump |
| pka | -4.78±0.50(Predicted) |
| color | White to Light yellow |
| Water Solubility | 701.8mg/L at 25℃ |
| Sensitive | Moisture Sensitive |
| InChI | InChI=1S/C11H8ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey | HXEVQMXCHCDPSO-UHFFFAOYSA-N |
| SMILES | C(Cl)(C1=C(C)ON=C1C1=CC=CC=C1)=O |
| LogP | 1.97 at 25℃ |
| CAS DataBase Reference | 16883-16-2(CAS DataBase Reference) |
| EPA Substance Registry System | 4-Isoxazolecarbonyl chloride, 5-methyl-3-phenyl- (16883-16-2) |
Safety Information
| Hazard Codes | C,Xi |
| Risk Statements | 22-34-36 |
| Safety Statements | 26-36/37/39-45-26/36/37/39/45-20 |
| RIDADR | UN3261 |
| Hazard Note | Corrosive |
| TSCA | Yes |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 2934999090 |
