Ethyl 3,3,3-trifluoro-2-oxopropanoate

HCID 2737239CAS 13081-18-0
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCOC(=O)C(=O)C(F)(F)F
InChIKey
KJHQVUNUOIEYSV-UHFFFAOYSA-N
Summenformel
C5H5F3O3
Durchschnittliche Molmasse
170,09 g/mol
Monoisotopische Masse
170,0190785

Namen und Bezeichner

Bevorzugter Name
Ethyl 3,3,3-trifluoro-2-oxopropanoate
IUPAC
ethyl 3,3,3-trifluoro-2-oxopropanoate
Englischer Name
Ethyl trifluoropyruvate
Summenformel
C5H5F3O3
Molmasse
170.09

Namen und Synonyme

13081-18-0ethyl 3,3,3-trifluoro-2-oxopropanoateRefChem:594533603-440-7Ethyl TrifluoropyruvateEthyl 3,3,3-trifluoropyruvateethyltrifluoropyruvateTrifluoropyruvic Acid Ethyl EsterMFCD001149353,3,3-Trifluoro-2-oxopropanoic Acid Ethyl Ester; Ethyl 2-Oxo-3,3,3-trifluoropropanoate; Ethyl 3,3,3-Trifluoropyruvate; Ethyl 3,3,3-Trifluoro-2-oxopropanoate; Ethyl Trifluoropyruvate;ethyl trifluorpyruvatePropanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester
Weitere Namen anzeigen
E-TFPARARECHEM AL BI 13003,3,3-TrifluoropyruvateEthyltrifluoropyruvate98%ETHYL 3,3,3-TRIFLUORO-2-OThreefluorideethylpyruvateEthyl trifluoropyruvate 98%
ethyl-trifluoropyruvateSCHEMBL166910Ethyl 3,3,3 trifluoropyruvateDTXSID503719343,3,3-Trifluoropyruvate ethyl esterFD2022SBB088358AKOS005063330

Datenbank-Bezeichner

CAS
13081-18-0
PubChem CID
2737239
DTXSID
DTXSID50371934
EC Number
603-440-7
Nikkaji
J856.684D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
43,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
3
Schwere Atome
11

Physikochemische Eigenschaften

Siedepunkt
42 °C · 42 °C(lit.)
Dichte
1.283 g/mL · 1.283 g/mL at 25 °C (lit.)
Dampfdruck
12.49 hPa · 12.49hPa at 25℃
Brechungsindex
20 · n20/D 1.341(lit.)
Flammpunkt
88 °F · 88 °F
storage temp.
2 · Inert atmosphere,2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (85.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, 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 54 reports by companies from 11 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

Regulatory InformationStatus: Active Update: 08-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17652
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (85.2%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (96.3%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 08-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17652

Sicherheitsdaten

wgk
3
ridadr
UN 3272 3/PG 3
hs_code
29183000
risk_code
10-22-36/37/38
hazard_code
Xn,C,Xi
hazard_note
Corrosive

Chemie und Industrie

Anwendungen

VerwendenEthyl Trifluoropyruvate is used as a reagent in the preparation of potential biologically active compounds such as in the highly enantioselective organocatalytic hydroxyalkylation of indoles .

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

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