Grundinformationen
- CAS
10-35-5- Standard-SMILES
CCOC(=O)C(F)Br- InChIKey
ULNDTPIRBQGESN-UHFFFAOYSA-N- Summenformel
- C4H6BrFO2
- Durchschnittliche Molmasse
- 184,99 g/mol
- Monoisotopische Masse
- 183,95352
Namen und Bezeichner
- Bevorzugter Name
- Acetic acid, 2-bromo-2-fluoro-, ethyl ester
- IUPAC
- ethyl 2-bromo-2-fluoroacetate
- Lokaler Name
- Ethylbromfluoracetat
- Englischer Name
- Ethyl bromofluoroacetate
- Summenformel
- C4H6BrFO2
- Molmasse
- 184.99
Namen und Synonyme
Ethyl bromofluoroacetate401-55-8RefChem:552126Acetic acid, 2-bromo-2-fluoro-, ethyl ester206-928-4ethyl 2-bromo-2-fluoroacetateethylbromofluoroacetateBromofluoroacetic Acid Ethyl EsterC4H6BrFO2MFCD00042095ethyl bromo(fluoro)acetate10-35-5
Weitere Namen anzeigen
BroMofluoroethyl acetateEethylbroMofluoroacetate2-bromo-4-fluorobutanoateEthylbromofluoroacetate98%BroMineethyl fluoroacetateEthylbromofluoroacetate,97%
ethyl-2-bromofluoroacetateethyl fluorobromoacetateacetic acid, bromofluoro-, ethyl esterethyl 2-bromo-2-fluoro-acetateEINECS 206-928-4SCHEMBL531947Ethyl bromofluoroacetate, 97%DTXSID50905152
Datenbank-Bezeichner
- CAS
10-35-5、401-55-8- PubChem CID
- 2733407
- DTXSID
DTXSID50905152- EC Number
- 206-928-4
- Nikkaji
- J213.647C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 86
Physikochemische Eigenschaften
- Siedepunkt
- 154 °C · 154 °C (lit.)
- Dichte
- 1.565 g/mL · 1.565 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.424(lit.)
- Flammpunkt
- 159 °F · 159 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Liquid
- Wichte
- 1.5407 · 1.5407
- Farbe
- Clear yellow
- Wasserlöslichkeit
- It is soluble in water.
- InChI
- InChI=1S/C4H6BrFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
- InChIKey
- ULNDTPIRBQGESN-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(Br)F
- CAS Datenbank
- 401 · 401-55-8(CAS DataBase Reference)
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
H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (12.2%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (85.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (95.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (87.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (85.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 9 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (14.3%)；Acute Tox. 4 (85.7%)；Acute Tox. 3 (12.2%)；Acute Tox. 4 (85.7%)；Skin Irrit. 2 (95.9%)；Eye Irrit. 2 (87.8%)；Acute Tox. 4 (85.7%)；STOT SE 3 (93.9%)
Sicherheitsdaten
- wgk
- 3
- tsca
- T
- ridadr
- UN2810
Chemie und Industrie
Anwendungen
VerwendenEthyl bromofluoroacetate is an intermediate useful for the synthesis of polyfluoroalkyl-substituted fluoro enol ethers1 and N-protected α-fluoroglycines.2
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