Diethyl-(2-bromoethyl)phosphonat

Diethyl (2-bromoethyl)phosphonate

HCID 79218CAS 5324-30-1

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Grundinformationen

Standard-SMILES: CCOP(=O)(CCBr)OCC
InChIKey: PINITSMLVXAASM-UHFFFAOYSA-N
Summenformel: C6H14BrO3P
Durchschnittliche Molmasse: 245,05 g/mol
Monoisotopische Masse: 243,98639304

Namen und Bezeichner

Bevorzugter Name: Diethyl (2-bromoethyl)phosphonate
IUPAC: 1-bromo-2-diethoxyphosphorylethane
Lokaler Name: Diethyl-(2-bromoethyl)phosphonat
Englischer Name: DIETHYL 2-BROMOETHYLPHOSPHONATE
Summenformel: C6H14BrO3P
Molmasse: 245.05

Namen und Synonyme

5324-30-1Diethyl (2-bromoethyl)phosphonateEINECS 226-193-3DTXSID00201333NSC 2672NSC 119421RefChem:587005DTXCID00123824226-193-3Diethyl 2-bromoethylphosphonate1-bromo-2-diethoxyphosphorylethane(2-Bromoethyl)phosphonic acid diethyl ester

Weitere Namen anzeigen

DIETHYL 2-BROMOETHYLPHOSPHOTEDIETHYL 2-BROMOETHANEPHOSPHONATEDiethyl2-bromoethylphosphonate,97%Diethyl 2-Bromoethylphosphonate >Diethyl P-(2-bromoethyl)phosphonate

MFCD00000239Phosphonic acid, (2-bromoethyl)-, diethyl ester2-Bromoethylphosphonic Acid Diethyl EsterO,O-Diethyl (2-bromoethyl)phosphonatediethyl bromoethylphosphonateNSC119421NSC-119421diethyl(2-bromoethyl)phosphonate

Datenbank-Bezeichner

CAS: 5324-30-1
PubChem CID: 79218
DTXSID: DTXSID00201333
EC Number: 226-193-3
Nikkaji: J236.439E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 6
Schwere Atome: 11
Formalladung: 0
Komplexität: 130

Physikochemische Eigenschaften

Siedepunkt: 75 °C/1 · 75 °C/1 mmHg (lit.)
Dichte: 1.348 g/mL · 1.348 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.461(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Liquid
Wichte: 1.2751 · 1.2751.348
Farbe: Clear colorless to slightly yellow
Wasserlöslichkeit: Soluble in water(20 g/L) (25°C).
BRN: 1766077 · 1766077
InChI: InChI=1S/C6H14BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3
InChIKey: PINITSMLVXAASM-UHFFFAOYSA-N
SMILES: P(CCBr)(=O)(OCC)OCC
CAS Datenbank: 5324 · 5324-30-1(CAS DataBase Reference)

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 6 reports by companies from 3 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: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 23-24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenIt is employed as a reactant involved in radical coupling, synthesis of organosoluble zirconium phosphonate nanocomposites, click-chemistry, asymmetric epoxidation of unfunctionalized olefins, Negishi alkyl-aryl cross-coupling, and in synthesis of hydrolytically stable phosphonic acids for use as dental adhesives.