HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-2-bromhexanoat
Nsc8879 · Wln: 4yevo2 · ETHYL 2-BROMOCAPROATE · ETHYL A-BROMOCAPROATE · ETHYL 2-BROMOHEXANOATE · Ethyl 2-bromocapronate · 2- broMoethyl caproate · ETHYL ALPHA-BROMOCAPROATE
Identifikatoren & physikalische Daten
| CAS No. | 615-96-3 |
|---|---|
| Summenformel | C8H15BrO2 |
| Durchschnittliche Molmasse | 223,11 g/mol |
| Monoisotopische Masse | 222,02554182 g/mol |
| SMILES | CCCCC(Br)C(=O)OCC |
| InChIKey | KOUAQOCYMAENKN-UHFFFAOYSA-N |
| PubChem CID | 79072 |
| EC No. | 210-455-9 |
| DTXSID | DTXSID30883242 |
| Lokaler Name | Ethyl-2-bromhexanoat |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 115 |
| Schmelzpunkt | 214°C |
| Siedepunkt | 213-215 °C (lit.) |
| Dichte | 1.221 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.45(lit.) |
| Flammpunkt | 204 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| InChI | InChI=1S/C8H15BrO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3 |
| InChIKey | KOUAQOCYMAENKN-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(Br)CCCC |
| CAS Datenbank | 615-96-3(CAS DataBase Reference) |
| NIST chemische Informationen | Hexanoic acid, 2-bromo-, ethyl ester(615-96-3) |
| EPA chemische Informationen | Hexanoic acid, 2-bromo-, ethyl ester (615-96-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29159000 |
| R-Sätze (R) | 22-34-36/37/38 |
| Gefahrensymbole | C,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-36 |
| Gefahrenklasse | 8Acute Tox. 4 OralSkin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Ethyl 2-bromohexanoate has been used in the preparation of:ethyl 2,2-dibromohexanoate2-mercaptohexanoic acid derivativeschloroquinoxaline N-oxide