Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate

HCID 11759356

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Grundinformationen

CAS: 124755-24-4
Standard-SMILES: CCOC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIKey: HBYHPBCAZBLFTD-UHFFFAOYSA-N
Summenformel: C8H11F6O5P
Durchschnittliche Molmasse: 332,13 g/mol
Monoisotopische Masse: 332,0248294

Namen und Bezeichner

Bevorzugter Name: Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate
IUPAC: ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate
Englischer Name: ETHYL [BIS(2,2,2-TRIFLUOROETHOXY)PHOSPHINYL]ACETATE
Summenformel: C8H11F6O5P
Molmasse: 332.13

Namen und Synonyme

Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetateEthyl (bis(2,2,2-trifluoroethoxy)phosphinyl)acetateRefChem:593142628-627-0124755-24-4Ethyl 2-(bis(2,2,2-trifluoroethoxy)phosphoryl)acetateEthyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetateMFCD01318337Acetic acid, 2-[bis(2,2,2-trifluoroethoxy)phosphinyl]-, ethyl esterEthyl[bis(2,2,2-trifluoroethoxy)phosphinyl]acetateEthyl [bis(2,2,2-trSCHEMBL1135973

Weitere Namen anzeigen

Ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphinyl]acetateEthyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate 97%Di(3,3,3-trifluoroethyl)(ethoxycarbonylmethyl)phosphonate[Bis-(2,2,2-trifluoro-ethoxy)-phosphoryl]-acetic acid ethyl ester[BIS-(2,2,2-TRIFLUORO-ETHOXY)-PHOSPHORYL]-ACETIC ACID METHYL ESTER

DTXSID80471931Acetic acid, [bis(2,2,2-trifluoroethoxy)phosphinyl]-, ethyl esterAKOS015913541CS-W004772AS-72186SY112987F227426Ethyl [bis(2,2,2-trifluoroethoxy)phosphoryl]acetate

Datenbank-Bezeichner

CAS: 124755-24-4
PubChem CID: 11759356
DTXSID: DTXSID80471931
EC Number: 628-627-0
Nikkaji: J452.521C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 61,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 11
Frei drehbare Bindungen: 8
Schwere Atome: 20
Formalladung: 0
Komplexität: 343

Physikochemische Eigenschaften

Siedepunkt: 249 · 249-250 °C(lit.)
Dichte: 1.403 g/mL · 1.403 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.3730(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C, stored under nitrogen
InChI: InChI=1S/C8H11F6O5P/c1-2-17-6(15)3-20(16,18-4-7(9,10)11)19-5-8(12,13)14/h2-5H2,1H3
InChIKey: HBYHPBCAZBLFTD-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CP(OCC(F)(F)F)(OCC(F)(F)F)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenEthyl [Bis(2,2,2-trifluoroethoxy)phosphinyl]acetate is a reagent used in the preparation of spiroketal EBC-23; an anticancer agent, scytonemin A; a novel calcium antagonist and other useful organic compounds.