Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate

HCID 522203CAS 663-35-4

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Grundinformationen

Standard-SMILES: CCOC(=O)CC(=O)C(F)(F)C(F)(F)F
InChIKey: MWGSZQXKIYWSFS-UHFFFAOYSA-N
Summenformel: C7H7F5O3
Durchschnittliche Molmasse: 234,12 g/mol
Monoisotopische Masse: 234,03153489

Namen und Bezeichner

Bevorzugter Name: Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate
IUPAC: ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoate
Englischer Name: ETHYL PENTAFLUOROPROPIONYLACETATE
Summenformel: C7H7F5O3
Molmasse: 234.12

Namen und Synonyme

Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerateRefChem:595096628-364-1Ethyl pentafluoropropionylacetate663-35-4Ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoateEthyl pentafluoropropionyl acetateMFCD00013569C7H7F5O3Pentanoic acid, 4,4,5,5,5-pentafluoro-3-oxo-, ethyl esterethyl 3-oxo-4,4,5,5,5-pentafluoropentanoateEthyl pentafluoropropanoyl acetate

Weitere Namen anzeigen

AKOS B020260ART-CHEM-BB B0202605-fluoropylacetic acidethyl esterEthyl(pentafluoropropionyl)acetate95%Ethyl (pentafluoropropionyl)acetate 95%Pentafluoropropionylaceticacidethylester

DTXSID20880144ETHYLPENTAFLUOROPROPIONYLACETATE4,4,5,5,5-pentafluoro-3-oxovaleric acid ethylethyl 4,4,5,5,5-pentafluoro-3-oxo-pentanoateSCHEMBL1262144,4,5,5,5-Pentafluoro-3-oxovaleric Acid Ethyl EsterSBB032272AKOS000310041

Datenbank-Bezeichner

CAS: 663-35-4
PubChem CID: 522203
DTXSID: DTXSID20880144
EC Number: 628-364-1
Nikkaji: J208.922J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 5
Schwere Atome: 15
Formalladung: 0
Komplexität: 258

Physikochemische Eigenschaften

Siedepunkt: 143 · 143-145 °C (lit.)
Dichte: 1.338 g/mL · 1.338 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.367(lit.)
Flammpunkt: 118 °F · 118 °F
pka: 7.66 · 7.66±0.46(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
BRN: 4746481 · 4746481
InChI: 1S/C7H7F5O3/c1-2-15-5(14)3-4(13)6(8,9)7(10,11)12/h2-3H2,1H3
InChIKey: MWGSZQXKIYWSFS-UHFFFAOYSA-N
SMILES: CCOC(=O)CC(=O)C(F)(F)C(F)(F)F
CAS Datenbank: 663 · 663-35-4(CAS DataBase Reference)
EPA chemische Informationen: Ethyl pentafluoropropionyl acetate (663-35-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 45 reports by companies from 4 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.