4-Isoxazolecarbonyl chloride, 3-(o-chlorophenyl)-5-methyl- (8ci)
3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride
CAS: 25629-50-9
Molecular Formula: C11H7Cl2NO2
4-Isoxazolecarbonyl chloride, 3-(o-chlorophenyl)-5-methyl- (8ci) - Names and Identifiers
4-Isoxazolecarbonyl chloride, 3-(o-chlorophenyl)-5-methyl- (8ci) - Physico-chemical Properties
| Molecular Formula | C11H7Cl2NO2 |
| Molar Mass | 256.08 |
| Density | 1.381±0.06 g/cm3(Predicted) |
| Melting Point | 41-42°C |
| Boling Point | 381.7±42.0 °C(Predicted) |
| Flash Point | 184.6°C |
| Water Solubility | 128.2mg/L at 25℃ |
| Vapor Presure | 0.001Pa at 25℃ |
| BRN | 791931 |
| pKa | -5.80±0.50(Predicted) |
| Storage Condition | 2-8℃ |
| Sensitive | Moisture Sensitive |
| Refractive Index | 1.574 |
| MDL | MFCD00020811 |
| Use | For pharmaceutical intermediates |
4-Isoxazolecarbonyl chloride, 3-(o-chlorophenyl)-5-methyl- (8ci) - Risk and Safety
| Risk Codes | 34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/45 - |
| UN IDs | 3261 |
| TSCA | Yes |
| Hazard Class | 8 |
| Packing Group | II |
4-Isoxazolecarbonyl chloride, 3-(o-chlorophenyl)-5-methyl- (8ci) - Reference Information
| LogP | 2.61 at 25℃ |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Uses | Used as a pharmaceutical intermediate An intermediate of chlorobenzazole penicillin sodium. |
| production method | oxime with o-chlorobenzaldehyde and hydroxylamine hydrochloride under alkaline conditions to generate o-chlorobenzoxime, and then chlorinated with chlorine to obtain o-chlorobenzoxime chloride, and then combined with ethyl acetoacetate ring to hydrolyze the ester group to generate 3-(o-chlorophenyl)-5-methyl -4-isoxazole, finally, the product was prepared by chlorination of phosphorus pentachloride. |
Last Update：2024-04-09 02:00:07
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