HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-2-brom-3-methylbutyrat
Ethyl 2-bromo-3-methylbutanoate · ETHYL 2-BROMOISOVALERATE · 2-Bromo-3-methylbutanoic acid ethyl ester · NSC 8866 · TIMTEC-BB SBB005789 · Ethyl α-broMo isoaMyl · ETHYL A-BROMOISOVALERATE · 2-broMoisovalerate Ethyl
Identifikatoren & physikalische Daten
| CAS No. | 609-12-1 |
|---|---|
| Summenformel | C7H13BrO2 |
| Durchschnittliche Molmasse | 209,08 g/mol |
| Monoisotopische Masse | 208,00989176 g/mol |
| SMILES | CCOC(=O)C(Br)C(C)C |
| InChIKey | WNFUWONOILPKNX-UHFFFAOYSA-N |
| PubChem CID | 79068 |
| EC No. | 210-178-3 |
| DTXSID | DTXSID20870681 |
| Lokaler Name | Ethyl-2-brom-3-methylbutyrat |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 112 |
| SpringerMaterials Properties | Optical coefficient |
| Siedepunkt | 77 °C (12 mmHg) |
| Dichte | 1,276 g/cm3 |
| Brechungsindex | 1.4485-1.4505 |
| Flammpunkt | 65 °C |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Hexane (Slightly) |
| Aggregatzustand | Powder, Crystals or Flakes |
| Farbe | Dark gray |
| BRN | 1099039 |
| CAS Datenbank | 609-12-1(CAS DataBase Reference) |
| NIST chemische Informationen | Butanoic acid, 2-bromo-3-methyl-, ethyl ester(609-12-1) |
| EPA chemische Informationen | Ethyl 2-bromoisovalerate (609-12-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (85.7%): 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 49 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: 22-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30854 |
| Hazard Classes and Categories | Acute Tox. 4 (85.7%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3265 |
| Zollcode | 29159000 |
| R-Sätze (R) | 36/37/38-34-22-2017/8/20 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 24/25-45-36/37/39-26 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Ethyl 2-Bromoisovalerate (cas# 609-12-1) is a compound useful in organic synthesis.