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Diethyl-(2-bromoethyl)phosphonat
NSC 2672 · NSC 119421 · Diethyl bromoethylphosphonate · DIETHYL 2-BROMOETHYLPHOSPHOTE · DIETHYL 2-BROMOETHYLPHOSPHONATE · DIETHYL 2-BROMOETHANEPHOSPHONATE · Diethyl2-bromoethylphosphonate,97% · 1-Bromo-2-diethoxyphosphorylethane
Identifikatoren & physikalische Daten
| CAS No. | 5324-30-1 |
|---|---|
| Summenformel | C6H14BrO3P |
| Durchschnittliche Molmasse | 245,05 g/mol |
| Monoisotopische Masse | 243,98639304 g/mol |
| SMILES | CCOP(=O)(CCBr)OCC |
| InChIKey | PINITSMLVXAASM-UHFFFAOYSA-N |
| PubChem CID | 79218 |
| EC No. | 226-193-3 |
| DTXSID | DTXSID00201333 |
| Lokaler Name | Diethyl-(2-bromoethyl)phosphonat |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 130 |
| Siedepunkt | 75 °C/1 mmHg (lit.) |
| Dichte | 1.348 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.461(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.2751.348 |
| Farbe | Clear colorless to slightly yellow |
| Löslichkeit | Soluble in water(20 g/L) (25°C). |
| BRN | 1766077 |
| InChI | InChI=1S/C6H14BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3 |
| InChIKey | PINITSMLVXAASM-UHFFFAOYSA-N |
| SMILES | P(CCBr)(=O)(OCC)OCC |
| CAS Datenbank | 5324-30-1(CAS DataBase Reference) |
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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29319090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
It is employed as a reactant involved in radical coupling, synthesis of organosoluble zirconium phosphonate nanocomposites, click-chemistry, asymmetric epoxidation of unfunctionalized olefins, Negishi alkyl-aryl cross-coupling, and in synthesis of hydrolytically stable phosphonic acids for use as dental adhesives.