Ethyltrifluoracetat
Ethyl trifluoroacetate
Grundinformationen
- CAS
383-63-1- Standard-SMILES
CCOC(=O)C(F)(F)F- InChIKey
STSCVKRWJPWALQ-UHFFFAOYSA-N- Summenformel
- C4H5F3O2
- Durchschnittliche Molmasse
- 142,08 g/mol
- Monoisotopische Masse
- 142,02416406
Überblick
TRIFLUOROACETIC ACID ETHYL ESTER is an organohalogen compound. It is functionally related to a carboxylic acid.
Namen und Bezeichner
- Bevorzugter Name
- Ethyl trifluoroacetate
- IUPAC
- ethyl 2,2,2-trifluoroacetate
- Lokaler Name
- Ethyltrifluoracetat
- Englischer Name
- Ethyl trifluoroacetate
- Summenformel
- C4H5F3O2
- Molmasse
- 142.08
Namen und Synonyme
ETHYL TRIFLUOROACETATEethyl 2,2,2-trifluoroacetateTrifluoroacetic acid ethyl esterAcetic acid, trifluoro-, ethyl esterEthyl trifluoroethanoateTrifluoroacetic acid, ethyl esterDTXSID8041959UNII-A6TZK6X11XA6TZK6X11XETHYL PERFLUOROACETATEAcetic acid, 2,2,2-trifluoro-, ethyl esterEthyl ester of Trifluoroacetic acid
Weitere Namen anzeigen
ETFATFAETRARECHEM AL BI 0416Ethyltrifluoracetat2,2,2-Trifluoroacetic acid ethyl estercb1020fd06h11
EINECS 206-851-6CF3COOC2H5NSC 220215NSC-220215AI3-52221DTXCID6021959EC 206-851-6ETHYL .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROACETATE
Datenbank-Bezeichner
- CAS
383-63-1- PubChem CID
- 9794
- DTXSID
DTXSID8041959- ChEMBL
CHEMBL3185188- ChEBI
CHEBI:192463- UNII
- A6TZK6X11X
- EC Number
- 206-851-6
- Nikkaji
- J139.766D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 107
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Esters
PFAS
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Vapor Pressure196.0 [mmHg]
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -78 °C · -78 °C
- Siedepunkt
- 60 · 60-62 °C(lit.)
- Dichte
- 1.194 g/mL · 1.194 g/mL at 25 °C(lit.)
- Dampfdruck
- 18.5 kPa · 18.5kPa at 20℃
- Brechungsindex
- 20 · n20/D 1.307(lit.)
- Flammpunkt
- 30 °F · 30 °F
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 (99.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 191 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 06-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10724
Ethyl trifluoroacetate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant that may cause serious eye injury; Harmful by ingestion; [Sigma-Aldrich MSDS] See Sodium fluoroacetate. See Butyl trifluoroacetate. See Methyl trifluoroacetate.
Hazard Classes and CategoriesFlam. Liq. 2 (99.5%)
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29159080
- risk_code
- 11-22-37/38-41-34
- hazard_code
- F,Xn,C
- hazard_note
- Flammable/Corrosive
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationAcetic acid, 2,2,2-trifluoro-, ethyl ester: ACTIVE
Anwendungen
VerwendenEthyl Trifluoroacetate is an intermediate used in the synthesis of various pharmaceutically active molecules and agricultural products. Ethyl Trifluoroacetate is also useful for the preparation of tri fluoroacylated compounds.
Darstellung
synthetischeTrifluoroacetic acid and ethanol were used as starting materials with strong-acid cation exchange resin as catalysts at 40 ~ 50 she℃. Add ethanol drop and temperature rising reflux divides the mixture of water and ethanol. After that, collect the mix of thick product ethanol and Ethyl trifluoroacetate. The crude product collected is added a small amount of water, and layering can obtain a content of more than 99.5%. The qualified product Ethyl trifluoroacetate, whose moisture is less than 0.1%, yields more than 95%.
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