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3-(2,6-Dichlorphenyl)-5-methylisoxazol-4-carbonylchlorid
D4776 · Dcimc chloride · Dizole chloride · Side chain of Dicloxacilin · Dcimc chloride, 10 mM in DMSO · 3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE · DICHLOROPHENYL-5-METHYLISOXAZOLE-4-CARBONYLCHLORIDE · 3-(2,6-DICHLOROPHENYL)-5-METHYL-4-CHLOROCARBONYL ISOXAZOLE
Identifikatoren & physikalische Daten
| CAS No. | 4462-55-9 |
|---|---|
| Summenformel | C11H6Cl3NO2 |
| Durchschnittliche Molmasse | 290,5 g/mol |
| Monoisotopische Masse | 288,94641147 g/mol |
| SMILES | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Cl |
| InChIKey | IZQGELJKDARDMZ-UHFFFAOYSA-N |
| PubChem CID | 78212 |
| ChEMBL | CHEMBL3183862 |
| EC No. | 224-723-8 |
| DTXSID | DTXSID1057747 |
| Lokaler Name | 3-(2,6-Dichlorphenyl)-5-methylisoxazol-4-carbonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 292 |
| Schmelzpunkt | 92 °C |
| Siedepunkt | 390.9±42.0 °C(Predicted) |
| Dichte | 1.472±0.06 g/cm3(Predicted) |
| Dampfdruck | 0Pa at 25℃ |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -6.62±0.50(Predicted) |
| Farbe | White to Almost white |
| Löslichkeit | 22.98mg/L at 25℃ |
| LogP (Verteilungskoeffizient) | 3.26 at 25℃ |
| CAS Datenbank | 4462-55-9(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Isoxazolecarbonyl chloride, 3-(2,6-dichlorophenyl)-5-methyl- (4462-55-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (56.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 23 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20648 |
| Hazard Classes and Categories | Skin Corr. 1B (56.5%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3261 |
| Zollcode | 2934999090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-36/37/39/45 |
Anwendungen & Verwendung
Verwenden
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride is used for preparing isoxazolyl penicillin derivatives.