Ethylbromdifluoracetat
Ethyl bromodifluoroacetate
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Grundinformationen
- CAS
667-27-6- Standard-SMILES
CCOC(=O)C(F)(F)Br- InChIKey
IRSJDVYTJUCXRV-UHFFFAOYSA-N- Summenformel
- C4H5BrF2O2
- Durchschnittliche Molmasse
- 202,98 g/mol
- Monoisotopische Masse
- 201,94409794
Namen und Bezeichner
- Bevorzugter Name
- Ethyl bromodifluoroacetate
- IUPAC
- ethyl 2-bromo-2,2-difluoroacetate
- Lokaler Name
- Ethylbromdifluoracetat
- Englischer Name
- Ethyl bromodifluoroacetate
- Summenformel
- C4H5BrF2O2
- Molmasse
- 202.98
Namen und Synonyme
Ethyl bromodifluoroacetate667-27-6ethyl 2-bromo-2,2-difluoroacetate2QFZ6JJ5YH2-bromo-2,2-difluoroacetic acid ethyl esterEINECS 211-567-0IRSJDVYTJUCXRV-UHFFFAOYSA-DTXSID40216845Acetic acid, 2-bromo-2,2-difluoro-, ethyl esterRefChem:138888DTXCID70139336211-567-0
Weitere Namen anzeigen
2-broMo-2,2-difluoroacetateEBDAEBFAbromodifLEthyl bromodifluoroaEthylbromdifluoracetatTwoethyl broMidefluorideEthybromodifluoroacetate
InChI=1/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3IRSJDVYTJUCXRV-UHFFFAOYSA-NEthylbromodifluoroacetateBromodifluoroacetic Acid Ethyl Esterethyl difluorobromoacetateAcetic acid, bromodifluoro-, ethyl esterethyl bromo(difluoro)acetateethyl 2-bromo-2,2-difluoro-acetate
Datenbank-Bezeichner
- CAS
667-27-6- PubChem CID
- 69585
- DTXSID
DTXSID40216845- UNII
- 2QFZ6JJ5YH
- EC Number
- 211-567-0
- Nikkaji
- J205.964I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 115
Physikochemische Eigenschaften
- Siedepunkt
- 112 °C/700 · 112 °C/700 mmHg (lit.)
- Dichte
- 1.583 g/mL · 1.583 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.387(lit.)
- Flammpunkt
- 70 °F · 70 °F
- storage temp.
- 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 · 1.583
- BRN
- 1906095 · 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 · 667-27-6(CAS DataBase Reference)
- NIST chemische Informationen
- Ethyl bromodifluoroacetate(667-27-6)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H225 (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.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 28-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31053
Acetic acid, bromodifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (96.3%)
Sicherheitsdaten
- wgk
- 3
- tsca
- No
- ridadr
- UN 2924 3/PG 2
- hs_code
- 2915900090
- risk_code
- 10-34-36
- hazard_code
- C,F,Xi
- hazard_note
- Irritant/Flammable
- safety_code
- 26-36/37/39-45-16-27
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
Chemie und Industrie
Anwendungen
BeschreibungEthyl 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.
VerwendenEthyl 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.
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