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2-Brompropionylbromid
2-Bromopropanoyl bromide · Zinc02242574 · 2-BromopropionyL · BroMoacety BroMide · 2-Brompropionylbromid · -Bromopropionylbromide · 2-bromo-propanoylbromid · 1,2-Dibromo-2-propanone
Identifikatoren & physikalische Daten
| CAS No. | 563-76-8 |
|---|---|
| Summenformel | C3H4Br2O |
| Durchschnittliche Molmasse | 215,87 g/mol |
| Monoisotopische Masse | 213,86289 g/mol |
| SMILES | CC(Br)C(=O)Br |
| InChIKey | ILLHORFDXDLILE-UHFFFAOYSA-N |
| PubChem CID | 79047 |
| EC No. | 209-261-7 |
| DTXSID | DTXSID00862201 |
| Lokaler Name | 2-Brompropionylbromid |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 61 |
| Siedepunkt | 48-50 °C/10 mmHg (lit.) |
| Dichte | 2.061 g/mL at 25 °C (lit.) |
| Dampfdichte | 7.5 (vs air) |
| Dampfdruck | 1.3 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.518(lit.) |
| Flammpunkt | >230 °F |
| Löslichkeit | Miscible with trichloromethane, diethyl ether, benzene and acetone. |
| Aggregatzustand | clear liquid |
| Wichte | 2.061 |
| Farbe | Colorless to Light yellow to Light orange |
| BRN | 1071331 |
| Stabilität | Moisture Sensitive |
| InChI | 1S/C3H4Br2O/c1-2(4)3(5)6/h2H,1H3 |
| InChIKey | ILLHORFDXDLILE-UHFFFAOYSA-N |
| SMILES | CC(Br)C(Br)=O |
| LogP (Verteilungskoeffizient) | 0.38 at 25℃ |
| CAS Datenbank | 563-76-8(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Bromopropionyl bromide(563-76-8) |
| EPA chemische Informationen | Propanoyl bromide, 2-bromo- (563-76-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (92.3%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]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 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Propanoyl bromide, 2-bromo-Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/170882-Bromopropionyl bromide: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (92.3%)Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29159000 |
| R-Sätze (R) | 22-34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 4 OralSkin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Bromopropionyl bromide is used in the preparation of cellulose macroinitiator through direct acylation of cellulose in ionic liquid 1-allyl-3-methylimidazolium chloride. It is also used to prepare 3-(2-bromopropionyl)-2-oxazolidone derivatives and bromoester terminated poly(3-hexylthiophene). Further, it is used as a macroinitiator for atom transfer radical polymerization of acrylates.