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Brommethylacetat
brommethylacetat · Bromomethyl acetate,97% · Bromomethyl acetate · BROMOMETHANOLACETATE · ACETOXYMETHYLBROMIDE · bromo-methanoacetate · bromomethyl ethanoate · Bromomethyl Acetate >BroMoMethyl acetate 95%
Identifikatoren & physikalische Daten
| CAS No. | 590-97-6 |
|---|---|
| Summenformel | C3H5BrO2 |
| Durchschnittliche Molmasse | 152,97 g/mol |
| Monoisotopische Masse | 151,9472915 g/mol |
| SMILES | CC(=O)OCBr |
| InChIKey | NHYXMAKLBXBVEO-UHFFFAOYSA-N |
| PubChem CID | 68536 |
| EC No. | 209-696-2 |
| DTXSID | DTXSID00883451 |
| Lokaler Name | Brommethylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 52,8 |
| Schmelzpunkt | 139-140.5 °C |
| Siedepunkt | 130-133 °C/750 mmHg (lit.) |
| Dichte | 1.56 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.447(lit.) |
| Flammpunkt | 135 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Miscible with chloroform. |
| Aggregatzustand | Crystalline Powder or Powder |
| Farbe | White to light beige |
| Stabilität | Hygroscopic, Moisture Sensitive, Volatile |
| InChI | InChI=1S/C3H5BrO2/c1-3(5)6-2-4/h2H2,1H3 |
| InChIKey | NHYXMAKLBXBVEO-UHFFFAOYSA-N |
| SMILES | C(OC(=O)C)Br |
| CAS Datenbank | 590-97-6(CAS DataBase Reference) |
| EPA chemische Informationen | Methanol, bromo-, acetate (590-97-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 29153900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-45 |
| Gefahrenklasse | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Bromomethyl acetate is involved in the preparation of optically active cyclohexene antisepsis agents. It acts as reagent in samarium diiodide-mediated conversion of ketones and aldehydes to 1,2-diacetates.