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Ethyl 2-methyl-1,3-thiazole-4-carboxylate
ETHYL 2-METHYLTHIAZOLE-4-CARBOXYLATE · BUTTPARK 29\06-83 · ETHYL 2-METHYLTHIAZO · 2-Methylthiazole-4-carboxylate · ETHYL 2-METHYLTHIAZOL-4-CARBOXYLATE · methyl 2-methylthiazole-4-carboxylate · 4-(Ethoxycarbonyl)-2-methyl-1,3-thiazole · ETHYL 2-METHYL-1,3-THIAZOLE-4-CARBOXYLATE
Identifikatoren & physikalische Daten
| CAS No. | 6436-59-5 |
|---|---|
| Summenformel | C7H9NO2S |
| Durchschnittliche Molmasse | 171,22 g/mol |
| Monoisotopische Masse | 171,03539953 g/mol |
| SMILES | CCOC(=O)c1csc(C)n1 |
| InChIKey | QWWPUBQHZFHZSF-UHFFFAOYSA-N |
| PubChem CID | 293353 |
| EC No. | 640-267-6 |
| DTXSID | DTXSID40303668 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 151 |
| Schmelzpunkt | 54-58 °C |
| Siedepunkt | 242.1±13.0 °C(Predicted) |
| Dichte | 1.198±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 1.10±0.10(Predicted) |
| Aggregatzustand | solid |
| InChI | InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3 |
| InChIKey | QWWPUBQHZFHZSF-UHFFFAOYSA-N |
| SMILES | S1C=C(C(OCC)=O)N=C1C |
| CAS Datenbank | 6436-59-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (16.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29341000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37-24/25 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Ethyl 2-methylthiazole-4-carboxylate is a reactant used in the synthesis of 2,4,5-trisubstituted thiazoles as antituberculosis agents effective against drug resistant tuberculosis.