HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-3-brompropionat
Ethyl 3-bromopropanoate · Propionic acid, 3-bromo-, ethyl ester · 3-ethyl broMide · 3-broMo-propanoate · Ethyl 3-bromopropion · Ethyl-bromopropionate · *Tramadol Impurity 11 · Ethyl3-Bromopropanoate
Identifikatoren & physikalische Daten
| CAS No. | 539-74-2 |
|---|---|
| Summenformel | C5H9BrO2 |
| Durchschnittliche Molmasse | 181,03 g/mol |
| Monoisotopische Masse | 179,97859163 g/mol |
| SMILES | CCOC(=O)CCBr |
| InChIKey | FQTIYMRSUOADDK-UHFFFAOYSA-N |
| PubChem CID | 68320 |
| EC No. | 208-724-0 |
| DTXSID | DTXSID9060235 |
| Lokaler Name | Ethyl-3-brompropionat |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 72,8 |
| Stoffklassen | Other Classes -> Halogenated Esters |
| SpringerMaterials Properties | Optical coefficient |
| Physical Description | Liquid with a pungent odorYellows on light exposure[Merck Index] Colorless liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 184-186 °C(Solv: water (7732-18-5)) |
| Siedepunkt | 135-136 °C/50 mmHg (lit.) |
| Dichte | 1.412 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.452(lit.) |
| Flammpunkt | 175 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | H2O: solubleSoluble in water, alcohol, chloroform, benzene. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to pale yellow |
| BRN | 1700933 |
| Dielektrizitätskonstante | 9.4(20.0℃) |
| InChI | 1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3 |
| InChIKey | FQTIYMRSUOADDK-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CCBr |
| CAS Datenbank | 539-74-2(CAS DataBase Reference) |
| NIST chemische Informationen | Propanoic acid, 3-bromo-, ethyl ester(539-74-2) |
| EPA chemische Informationen | Propanoic acid, 3-bromo-, ethyl ester (539-74-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, 3-bromo-, ethyl ester |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See Methyl dichloroacetate. See Ethyl 2-bromopropionate. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Flammable liquids - Category 4 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29159000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Ethyl 3-bromopropionate was used in the preparation of (3,4-dimethoxyphenyl)-5-oxopentanoic acid.