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| | 3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride Basic information |
| | 3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride Chemical Properties |
| Melting point | 41-42°C | | Boiling point | 381.7±42.0 °C(Predicted) | | density | 1.381±0.06 g/cm3(Predicted) | | vapor pressure | 0.001Pa at 25℃ | | pka | -5.80±0.50(Predicted) | | form | crystalline solid | | color | White to off-white | | Water Solubility | 128.2mg/L at 25℃ | | Sensitive | Moisture Sensitive | | BRN | 791931 | | InChI | InChI=1S/C11H7Cl2NO2/c1-6-9(11(13)15)10(14-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3 | | InChIKey | BPDBLWKFVXHGFT-UHFFFAOYSA-N | | SMILES | C(Cl)(C1=C(C)ON=C1C1=CC=CC=C1Cl)=O | | LogP | 2.61 at 25℃ | | CAS DataBase Reference | 25629-50-9(CAS DataBase Reference) | | EPA Substance Registry System | 4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl- (25629-50-9) |
| Risk Statements | 34 | | Safety Statements | 26-36/37/39-45-36/45 | | RIDADR | 3261 | | TSCA | Yes | | HazardClass | 8 | | PackingGroup | II | | HS Code | 2934999090 |
| | 3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride Usage And Synthesis |
| Chemical Properties | 3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride is Cream solid | | Uses | 3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride is used for preparing isoxazolyl penicillin derivatives. | | Flammability and Explosibility | Not classified | | Synthesis | To the solution was dropwise added under cooling at -12° to -14°C a solution of 3-(2-chlorophenyl)-5-methylisoxazol-4-carbonyl chloride, which was prepared from 3-(2-chlorophenyl)-5-methylisoxazol-4-carboxylic acid (1.78 g.) and thionyl chloride (10 ml.), in methylene chloride and then stirred for 5 hours. After the reaction, to the solution was added ice-water, and the resulant mixture was washed with water, dilute phosphoric acid, an aqueous solution of sodium bicarbonate and water in turn, and dried over magnesium sulfate. |
| | 3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride Preparation Products And Raw materials |
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