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Ethyl-5-bromvalerat
ETHYL 5-BROMOPENTANOATE · Ethyl 5-bromoacetate · Tramadol Impurity 12 · ETHYL 5-BROMOVALERATE · ETHYL OMEGA-BROMOVALERATE · Ethyl 5-broMovalerate 98% · Ethyl 5-bromovalerate,99% · Ethyl 5-Bromovalerate >Ethyl Acetate Impurity 10
Identifikatoren & physikalische Daten
| CAS No. | 14660-52-7 |
|---|---|
| Summenformel | C7H13BrO2 |
| Durchschnittliche Molmasse | 209,08 g/mol |
| Monoisotopische Masse | 208,00989176 g/mol |
| SMILES | CCOC(=O)CCCCBr |
| InChIKey | AFRWBGJRWRHQOV-UHFFFAOYSA-N |
| PubChem CID | 84580 |
| EC No. | 238-705-2 |
| DTXSID | DTXSID50163417 |
| Lokaler Name | Ethyl-5-bromvalerat |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 93,6 |
| Siedepunkt | 104-109 °C/12 mmHg (lit.) |
| Dichte | 1.321 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.458(lit.) |
| Flammpunkt | 219 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Not miscible or difficult to mix in water. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to pale yellow |
| BRN | 1752023 |
| InChI | InChI=1S/C7H13BrO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3 |
| InChIKey | AFRWBGJRWRHQOV-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)CCCCBr |
| CAS Datenbank | 14660-52-7(CAS DataBase Reference) |
| NIST chemische Informationen | Pentanoic acid, 5-bromo-, ethyl ester(14660-52-7) |
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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 8-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29159000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Ethyl 5-bromovalerate is employed in the preparation of S(γ-Carboxypropyl)-DL-homocysteine and S(δ-Carboxybutyl)-DL-homocysteine. It is also used in the preparation of ethyl 5-azidovalerate.