HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 575284Erstellt: 27. Oktober 2026
Ethyl 4-bromo-3-oxobutanoate
Ethyl 4-bromo-3-oxobutanoate · 1KG,5KG · Ethyl 4-bromoacetoacetate · Ethyl 4-Vromoacetoacetate · 4-broMo ethyl acetoacetate · Ethyl 4-bromo-3-oxo-butyrate · 4-BroMoacetoacetic acid ethyl ester · 4-Bromo-3-oxobutanoic acid Et ester
https://huagongshe.com/de/chemical/575284
Identifikatoren & physikalische Daten
| CAS No. | 13176-46-0 |
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| Summenformel | C6H9BrO3 |
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| Durchschnittliche Molmasse | 209,04 g/mol |
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| Monoisotopische Masse | 207,97350625 g/mol |
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| SMILES | CCOC(=O)CC(=O)CBr |
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| InChIKey | MGDWUTQKXCZNAJ-UHFFFAOYSA-N |
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| PubChem CID | 575284 |
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| EC No. | 806-757-0 |
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| DTXSID | DTXSID20341720 |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 43,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 133 |
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| SpringerMaterials Properties | Optical coefficient |
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| Siedepunkt | 231.6 °C |
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| Dichte | 1.511 |
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| Brechungsindex | 1.5281 (estimate) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| pKa (Säurekonstante) | 9.56±0.46(Predicted) |
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| Aggregatzustand | liquid |
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| Farbe | Colourless |
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| InChI | InChI=1S/C6H9BrO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3 |
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| InChIKey | MGDWUTQKXCZNAJ-UHFFFAOYSA-N |
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| SMILES | C(OCC)(=O)CC(=O)CBr |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (50%): Combustible liquid [Warning Flammable liquids]P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Flam. Liq. 4 (50%) |
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| Zollcode | 2918300090 |
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| Gefahrensymbole | F |
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