Ethyl-(dimethoxyphosphinoyl)acetat

Ethyl (dimethoxyphosphinoyl)acetate

HCID 67555CAS 311-46-6

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Grundinformationen

Standard-SMILES: CCOC(=O)CP(=O)(OC)OC
InChIKey: HUNISAHOCCASGM-UHFFFAOYSA-N
Summenformel: C6H13O5P
Durchschnittliche Molmasse: 196,14 g/mol
Monoisotopische Masse: 196,05006015

Namen und Bezeichner

Bevorzugter Name: Ethyl (dimethoxyphosphinoyl)acetate
IUPAC: ethyl 2-dimethoxyphosphorylacetate
Lokaler Name: Ethyl-(dimethoxyphosphinoyl)acetat
Englischer Name: Ethyl dimethylphosphonoacetate
Summenformel: C6H13O5P
Molmasse: 196.14

Namen und Synonyme

311-46-6Ethyl (dimethoxyphosphinoyl)acetateEINECS 206-222-6DTXSID00185043RefChem:593145DTXCID10107534206-222-6Ethyl dimethylphosphonoacetateethyl 2-(dimethoxyphosphoryl)acetateethyl 2-dimethoxyphosphorylacetateMFCD00015677Acetic acid, 2-(dimethoxyphosphinyl)-, ethyl ester

Weitere Namen anzeigen

Ethyl 2-(dimethoxyphosphoryl)DimethylEthylphosphonoacetateEthylDimethylphosphonoacetate>Dimethyl ethyl phosphonylacetateETHYL DIMETHYLPHOSPHONOACETATE 98%ethyl 2-dimethoxyphosphorylethanoateEthyl 2-(dimethoxyphosphinyl)acetate

Ethyl (dimethoxyphosphoryl)acetateAcetic acid, (dimethoxyphosphinyl)-, ethyl esterXGA6D2ZB8QDIMETHYL(ETHOXYCARBONYLMETHYL)PHOSPHONATEethyl dimethyl phosphonoacetateethyl(dimethylphosphono)acetateSCHEMBL639641HUNISAHOCCASGM-UHFFFAOYSA-

Datenbank-Bezeichner

CAS: 311-46-6
PubChem CID: 67555
DTXSID: DTXSID00185043
UNII: XGA6D2ZB8Q
EC Number: 206-222-6
Nikkaji: J193.727H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 61,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 6
Schwere Atome: 12
Formalladung: 0
Komplexität: 182

Physikochemische Eigenschaften

Siedepunkt: 134 °C10 · 134 °C10 mm Hg(lit.)
Dichte: 1.188 g/mL · 1.188 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.435(lit.)
Flammpunkt: 99 °C · 99 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
BRN: 1777603 · 1777603
InChI: InChI=1S/C6H13O5P/c1-4-11-6(7)5-12(8,9-2)10-3/h4-5H2,1-3H3
InChIKey: HUNISAHOCCASGM-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CP(OC)(OC)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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
hs_code: 2920907090
hazard_code: Xi
safety_code: 23-24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for synthesis of: Non-nucleoside inhibitors of HCV polymerase NS5BNeuropeptide Y1 receptor antagonistsAlkenylcarboxylates from Horner-Wadsworth-Emmons reactionsReactant for: Enantioselective transfer hydrogenation for preparation of the C7-C14 fragment of ulapualide A Intramolecular Michael reactionsOlefination of peptidyl aldehydes with stabilized ylides