3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride
- Product Name3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride
- CAS25629-50-9
- CBNumberCB4269825
- MFC11H7Cl2NO2
- MW256.08
- EINECS247-137-4
- MDL NumberMFCD00020811
- MOL File25629-50-9.mol
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) |
Safety
| Symbol(GHS) |
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| Signal word | Danger | |||||||||
| Hazard statements | H314-H318 | |||||||||
| Precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a | |||||||||
| Risk Statements | 34 | |||||||||
| Safety Statements | 26-36/37/39-45-36/45 | |||||||||
| RIDADR | 3261 | |||||||||
| TSCA | Yes | |||||||||
| HazardClass | 8 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 2934999090 | |||||||||
| NFPA 704: |
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