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Ethyl-2-brombutyrat
Ethyl 2-bromobutanoate · ETHYL 2-BROMOBUTYRATE · Butanoic acid, 2-bromo-, ethyl ester · 2- broMobutanoate · Ethyl 2-broMobutyr · 2-ethyl bromobutyrate · ethyl2-bromobutanoate · Ethy1-2-bromobutyrate
Identifikatoren & physikalische Daten
| CAS No. | 533-68-6 |
|---|---|
| Summenformel | C6H11BrO2 |
| Durchschnittliche Molmasse | 195,05 g/mol |
| Monoisotopische Masse | 193,99424169 g/mol |
| SMILES | CCOC(=O)C(Br)CC |
| InChIKey | XIMFCGSNSKXPBO-UHFFFAOYSA-N |
| PubChem CID | 79039 |
| EC No. | 208-574-6 |
| DTXSID | DTXSID30870591 |
| Lokaler Name | Ethyl-2-brombutyrat |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 93,1 |
| Schmelzpunkt | -4°C |
| Siedepunkt | 177 °C (lit.) |
| Dichte | 1.321 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.447(lit.) |
| Flammpunkt | 137 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Insoluble in water. Miscible with alcohol and ether |
| Merck | 14,1413 |
| BRN | 969841 |
| Dielektrizitätskonstante | 8.0(20℃) |
| InChIKey | XIMFCGSNSKXPBO-UHFFFAOYSA-N |
| CAS Datenbank | 533-68-6(CAS DataBase Reference) |
| NIST chemische Informationen | Butanoic acid, 2-bromo-, ethyl ester(533-68-6) |
| EPA chemische Informationen | Ethyl 2-bromobutyrate (533-68-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (96%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 27-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5938Ethyl 2-bromobutyrate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (96%) |
| F | 8-19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29159080 |
| R-Sätze (R) | 22-37/38-41-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-39-24/25-23 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Ethyl 2-bromobutyrate, is an important raw material and an intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used for agrochemical and pharmaceutical intermediate.