Ethylpentafluorpropionat

Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester

HCID 67928CAS 426-65-3

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Grundinformationen

Standard-SMILES: CCOC(=O)C(F)(F)C(F)(F)F
InChIKey: DBOFMRQAMAZKQY-UHFFFAOYSA-N
Summenformel: C5H5F5O2
Durchschnittliche Molmasse: 192,08 g/mol
Monoisotopische Masse: 192,0209705

Namen und Bezeichner

Bevorzugter Name: Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester
IUPAC: ethyl 2,2,3,3,3-pentafluoropropanoate
Lokaler Name: Ethylpentafluorpropionat
Englischer Name: Ethyl pentafluoropropionate
Summenformel: C5H5F5O2
Molmasse: 192.08

Namen und Synonyme

Ethyl pentafluoropropionateEthyl 2,2,3,3,3-pentafluoropropanoatePropanoic acid, pentafluoro-, ethyl esterEINECS 207-043-6DBOFMRQAMAZKQY-UHFFFAOYSA-Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl esterRefChem:869129207-043-6InChI=1/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3426-65-3Ethyl perfluoropropionateEthyl pentafluoropropanoate

Weitere Namen anzeigen

TIMTEC-BB SBB008810RARECHEM AL BI 0480ETHYL PENTAFLUOROPROPIOTEEthylPentafluoropropionate>Ethyl pentafluoropropanoate 98%

ethylpentafluoropropionatePENTAFLUOROPROPIONIC ACID ETHYL ESTERC5H5F5O2MFCD000004312,2,3,3,3-Pentafluoro-propionic acid ethyl esterJF10028Ethyl pentafluoropentanoate2,2,3,3,3-pentafluoropropionic acid ethyl ester

Datenbank-Bezeichner

CAS: 426-65-3
PubChem CID: 67928
DTXSID: DTXSID2059980
EC Number: 207-043-6
Nikkaji: J196.105E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 173

Experimentelle und physikochemische Eigenschaften

PFAS · 2 Einträge

PFAS -> Other/unspecified

Physikochemische Eigenschaften

Schmelzpunkt: 75.5 °C · 75.5°C
Siedepunkt: 75 · 75-76 °C (lit.)
Dichte: 1.299 g/mL · 1.299 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.301(lit.)
Flammpunkt: 35 °F · 35 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wichte: 1.299 · 1.299
BRN: 1779789 · 1779789
InChI: InChI=1S/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3
InChIKey: DBOFMRQAMAZKQY-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(F)(F)C(F)(F)F
CAS Datenbank: 426 · 426-65-3(CAS DataBase Reference)
EPA chemische Informationen: Ethyl perfluoropropionate (426-65-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3272 3/PG 2
hs_code: 29159000
risk_code: 11-36/37/38
hazard_code: F,Xi
hazard_note: Flammable
safety_code: 16-26-33-36
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPropanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester: INACTIVE

Anwendungen

VerwendenEthyl pentafluoropropionate has been used:as pentafluoroethyl source in the direct synthesis of pentafluoroethyl copper (CuC2F5)in the synthesis of C-6 substituted fluoroalkenyl 2,4-dimethoxypyrimidine derivative