Ethyl-4,4,4-trifluoracetoacetat

Ethyl 4,4,4-trifluoroacetoacetate

HCID 67793CAS 372-31-6
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCOC(=O)CC(=O)C(F)(F)F
InChIKey
OCJKUQIPRNZDTK-UHFFFAOYSA-N
Summenformel
C6H7F3O3
Durchschnittliche Molmasse
184,11 g/mol
Monoisotopische Masse
184,03472874

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name
Ethyl 4,4,4-trifluoroacetoacetate
IUPAC
ethyl 4,4,4-trifluoro-3-oxobutanoate
Lokaler Name
Ethyl-4,4,4-trifluoracetoacetat
Englischer Name
Ethyl 4,4,4-trifluoroacetoacetate
Summenformel
C6H7F3O3
Molmasse
184.11

Namen und Synonyme

Ethyl 4,4,4-trifluoroacetoacetate372-31-6Ethyl (trifluoroacetyl)acetateethyl-4,4,4-trifluoroacetoacetateButanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl esterAcetoacetic acid, 4,4,4-trifluoro-, ethyl esterAI3-52657NSC-42739KM9XB46R5TDTXSID5059905RefChem:138724DTXCID8039299
Weitere Namen anzeigen
ETFAAETHYL 3-OXO-4,4,4-TRIFLUOROACETOACETATE4,4,4-trifLAKOS B020306uoroacetoacetateTIMTEC-BB SBB008825Ethyl 4,4,4-trifluorTrifluoroacylacidester
206-750-7Ethyl 4,4,4-trifluoro-3-oxobutanoateEthyl trifluoroacetoacetate4,4,4-trifluoro-3-oxobutanoic acid ethyl ester4,4,4-Trifluoroacetoacetic acid ethyl esterETHYL 4,4,4-TRIFLUORO-3-OXOBUTYRATEMFCD00000424Ethyl 3-oxo-4,4,4-trifluorobutyrate

Datenbank-Bezeichner

CAS
372-31-6
PubChem CID
67793
DTXSID
DTXSID5059905
ChEMBL
CHEMBL152164
UNII
KM9XB46R5T
EC Number
206-750-7
Nikkaji
J150.821K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
43,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
4
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Esters
PFAS · 2 Einträge

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds

SpringerMaterials PropertiesOptical coefficient
Vapor Pressure6.0 [mmHg]
Physical Description · 2 Einträge

Liquid

Colorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
-39 °C · -39 °C
Siedepunkt
129 · 129-130 °C(lit.)
Dichte
1.259 g/mL · 1.259 g/mL at 25 °C(lit.)
Dampfdruck
8 hPa · 8hPa at 20℃
Brechungsindex
20 · n20/D 1.375(lit.)
Flammpunkt
84 °F · 84 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 222 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Cease Manufacture Update: 11-01-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12161

Ethyl 4,4,4-trifluoroacetoacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Ethyl trifluoroacetate.
Hazard Classes and CategoriesFlam. Liq. 3 (99.5%)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 3272 3/PG 3
hs_code
29183000
risk_code
10-22-52/53
hazard_code
Xn,F,C,Xi

Chemie und Industrie

Verwendung und Herstellung

UsesUsed to make fine chemicals; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 270,904 lb
Consumer UsesAnti-adhesive/cohesive
Industry UsesAnti-adhesive/cohesive
General Manufacturing Information · 2 Einträge

Paint and Coating Manufacturing

Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester: ACTIVE

Anwendungen

VerwendenEthyl 4,4,4-trifluoroacetoacetate is used in the synthesis of fluorinated 2-thiouracil analogs as antithyroid agents.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

6-Fluoro-4-(trifluoromethyl)quinolin-2-amine ,97%2-Hydroxy-4-(trifluoromethyl)quinoline(5-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOL-4-YL)METHANAMINE(1-TERT-BUTYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL)METHANOL4-HYDROXY-2-(METHYLTHIO)-6-(TRIFLUOROMETHYL)PYRIMIDINE7-HYDROXY-4-(TRIFLUOROMETHYL)COUMARINethyl 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-OL4-BROMO-6-(TRIFLUOROMETHYL)PYRIMIDINE(5-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHANOL1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID5-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE

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]
济南中蓝化工有限公司15169176553; 15169176553 · [email protected]

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