Ethylbromdifluoracetat
2-broMo-2,2-difluoroacetate · EBDA · EBFA · 2-Bromo-2,2-difluoroacetic acid ethyl ester · bromodifL · Ethyl bromodifluoroa · Ethylbromdifluoracetat · Twoethyl broMidefluoride
Identifikatoren & physikalische Daten
| CAS No. | 667-27-6 |
|---|---|
| Summenformel | C4H5BrF2O2 |
| Durchschnittliche Molmasse | 202,98 g/mol |
| Monoisotopische Masse | 201,94409794 g/mol |
| SMILES | CCOC(=O)C(F)(F)Br |
| InChIKey | IRSJDVYTJUCXRV-UHFFFAOYSA-N |
| PubChem CID | 69585 |
| EC No. | 211-567-0 |
| DTXSID | DTXSID40216845 |
| Lokaler Name | Ethylbromdifluoracetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 115 |
| Siedepunkt | 112 °C/700 mmHg (lit.) |
| Dichte | 1.583 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.387(lit.) |
| Flammpunkt | 70 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Soluble in most organic solvents. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Wichte | 1.583 |
| BRN | 1906095 |
| InChI | InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3 |
| InChIKey | IRSJDVYTJUCXRV-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(Br)(F)F |
| CAS Datenbank | 667-27-6(CAS DataBase Reference) |
| NIST chemische Informationen | Ethyl bromodifluoroacetate(667-27-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (96.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 28-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31053Acetic acid, bromodifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 2 (96.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | No |
| UN-Transportnummer | UN 2924 3/PG 2 |
| Zollcode | 29159000 |
| R-Sätze (R) | 10-34-36 |
| Gefahrensymbole | C,F,Xi |
| hazard_note | Irritant/Flammable |
| Sicherheitshinweise (S) | 26-36/37/39-45-16-27 |
| Gefahrenklasse | 3Flam. Liq. 2Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Beschreibung
Ethyl bromodifluoroacetate, a clear to yellow liquid, is an ester of bromodifluoroacetic acid and ethyl alcohol. It is an ester that can be used to introduce the CF2 group when synthesizing chemical compounds. Ethyl bromdifluoroacetate is considered to be a good compound in the generation of compounds and for testing with other organic compounds like lactones, imines, and other amino acids.
Verwenden
Ethyl bromodifluoroacetate is usually used in the preparation of substituted ethyl 2′-pyridyldifluoroacetates,4-alkoxymethyl- and 4-aryloxymethyl-3,3-difluoropiperidines,α,α-difluoro-β-lactams,mono- and difluoromethylated phenanthridine derivatives.