Ethyltrifluoracetat

Ethyl trifluoroacetate

HCID 9794CAS 383-63-1
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Grundinformationen

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

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Esters
PFAS · 2 Einträge

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

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 2 Einträge

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

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 · 1 Eintrag

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%.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南万兴达新材料科技有限公司0531-88064106 18253116016 · [email protected]

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