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3-(2,6-Dichlorphenyl)-5-methylisoxazol-4-carboxylsure
RARECHEM AL BO 1567 · Dicloxacillin Impurity D · Dicloxacillin EP Impurity D · (2S)-CIS-(+)-HYDROXY LACTUM · 3-(2,6-dichlorophenyl)-5-methy · Dicloxacillin Sodium impurity D · Dicloxacillin sodium EP Impurity D · 4-Carboxy-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
Identifikatoren & physikalische Daten
| CAS No. | 3919-76-4 |
|---|---|
| Summenformel | C11H7Cl2NO3 |
| Durchschnittliche Molmasse | 272,08 g/mol |
| Monoisotopische Masse | 270,9802985 g/mol |
| SMILES | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O |
| InChIKey | WQXUUMUOERZZAE-UHFFFAOYSA-N |
| PubChem CID | 77521 |
| EC No. | 223-487-3 |
| DTXSID | DTXSID5063233 |
| Lokaler Name | 3-(2,6-Dichlorphenyl)-5-methylisoxazol-4-carboxylsure |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 292 |
| Schmelzpunkt | 221 °C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | Pale Yellow |
| BRN | 806524 |
| InChI | InChI=1S/C11H7Cl2NO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16) |
| InChIKey | WQXUUMUOERZZAE-UHFFFAOYSA-N |
| SMILES | O1C(C)=C(C(O)=O)C(C2=C(Cl)C=CC=C2Cl)=N1 |
| CAS Datenbank | 3919-76-4(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl- (3919-76-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2935909550 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 22-36/37-36/37/39-26 |
Anwendungen & Verwendung
Verwenden
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid is used in the preparation of isoxazolyl penicillin derivatives.