Ethylheptafluorbutyrat

Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester

HCID 9644CAS 356-27-4

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Grundinformationen

Standard-SMILES: CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: JVHJRIQPDBCRRE-UHFFFAOYSA-N
Summenformel: C6H5F7O2
Durchschnittliche Molmasse: 242,09 g/mol
Monoisotopische Masse: 242,01777694

Namen und Bezeichner

Bevorzugter Name: Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester
IUPAC: ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
Lokaler Name: Ethylheptafluorbutyrat
Englischer Name: Ethyl heptafluorobutyrate
Summenformel: C6H5F7O2
Molmasse: 242.09

Namen und Synonyme

Ethyl heptafluorobutyrateEthyl 2,2,3,3,4,4,4-heptafluorobutanoateButanoic acid, heptafluoro-, ethyl esterBUTYRIC ACID, HEPTAFLUORO-, ETHYL ESTERAI3-52654NSC 3639EINECS 206-602-1BRN 1794634Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester4-02-00-00813 (Beilstein Handbook Reference)RefChem:571327Butyric acid, heptafluoro, ethyl ester

Weitere Namen anzeigen

ethylperfluorTIMTEC-BB SBB008806ethylperfluorobutanoateethylheptafluorobutanoateEthyl perfluorobutyrate 97%EthylHeptafluorobutyrate>ETHYL HEPTAFLUORO-N-BUTYRATE

Butanoic acid, heptafluoro, ethyl esterButanoic acid, 2,2,3,3,4,4,4heptafluoro, ethyl ester206-602-1356-27-4Ethyl perfluorobutyrateEthyl heptafluorobutanoateHeptafluorobutyric acid ethyl esterEthyl perfluorobutanoate

Datenbank-Bezeichner

CAS: 356-27-4
PubChem CID: 9644
DTXSID: DTXSID9059882
UNII: 9SN2XYH3EJ
EC Number: 206-602-1
Nikkaji: J42.918J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 4
Schwere Atome: 15
Formalladung: 0
Komplexität: 244

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Esters

PFAS · 3 Einträge

PFAS -> OECD Category

PFAS -> Other/unspecified

SpringerMaterials PropertiesDiamagnetic susceptibility

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Siedepunkt: 95 · 95-98°C
Dichte: 1.396 g/mL · 1.396 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.302(lit.)
Flammpunkt: 58 °F · 58 °F
storage temp.: Flammables area
Wasserlöslichkeit: Slightly soluble in water
Aggregatzustand: Liquid
Farbe: Clear colorless
BRN: 1794634 · 1794634
InChI: InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3
InChIKey: JVHJRIQPDBCRRE-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(F)(F)C(F)(F)C(F)(F)F
CAS Datenbank: 356 · 356-27-4(CAS DataBase Reference)
EPA chemische Informationen: Ethyl heptafluorobutyrate (356-27-4)

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryCauses convulsions, dyspnea, and cyanosis in intraperitoneal lethal-dose studies of rabbits (LD50 = 250 mg/kg); [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Ethyl 2-bromoisobutyrate and Methyl dichloroacetate.

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