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Ethyl 2-bromo-1,3-thiazole-4-carboxylate
ETHYL 2-BROMOTHIAZOLE-4-CARBOXYLATE · ethyl 2-bromo-4-thiazolecarboxylate · ethyl 2-broMo-thiazol-4-carboxylate · Ethyl2-Bromothiazole-4-carboxylate>Ethyl2-bromothiazole-4-carboxylate,97% · 2-Bromo-4-(ethoxycarbonyl)-1,3-thiazole · Ethyl 2-bromothiazole-4-carboxylate 96% · Ethyl 2-Bromothiazole-4-Carboxylate SKY · ethyl 2-bromo-1,3-thiazole-4-carboxylate
Identifikatoren & physikalische Daten
| CAS No. | 100367-77-9 |
|---|---|
| Summenformel | C6H6BrNO2S |
| Durchschnittliche Molmasse | 236,09 g/mol |
| Monoisotopische Masse | 234,93026153 g/mol |
| SMILES | CCOC(=O)c1csc(Br)n1 |
| InChIKey | CNHISCQPKKGDPO-UHFFFAOYSA-N |
| PubChem CID | 353965 |
| ChEMBL | CHEMBL5172336 |
| EC No. | 640-217-3 |
| DTXSID | DTXSID70326608 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 156 |
| Schmelzpunkt | 67-71 °C |
| Siedepunkt | 154°C/13mmHg(lit.) |
| Dichte | 1.654±0.06 g/cm3(Predicted) |
| Flammpunkt | >110℃ |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -1.50±0.10(Predicted) |
| Farbe | White to Almost white |
| InChI | InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3 |
| InChIKey | CNHISCQPKKGDPO-UHFFFAOYSA-N |
| SMILES | S1C=C(C(OCC)=O)N=C1Br |
| CAS Datenbank | 100367-77-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (25%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29341000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant/Keep Cold |
| Sicherheitshinweise (S) | 26-36/37/39-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Ethyl 2-bromothiazole-4-carboxylate is an essential organic reagent that can be used as a building block for the synthesis of many organic compounds, such as 4-Thiazolecarboxylic acid, Ethyl thiazole-4-carboxylate， 2-Bromothiazole-4-carboxylic acid and so on.