Diethylmethylphosphonat

Diethyl methylphosphonate

HCID 12685CAS 683-08-9

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Grundinformationen

Standard-SMILES: CCOP(C)(=O)OCC
InChIKey: NYYLZXREFNYPKB-UHFFFAOYSA-N
Summenformel: C5H13O3P
Durchschnittliche Molmasse: 152,13 g/mol
Monoisotopische Masse: 152,06023091

Namen und Bezeichner

Bevorzugter Name: Diethyl methylphosphonate
IUPAC: 1-[ethoxy(methyl)phosphoryl]oxyethane
Lokaler Name: Diethylmethylphosphonat
Englischer Name: Diethyl methylphosphonate
Summenformel: C5H13O3P
Molmasse: 152.13

Namen und Synonyme

DIETHYL METHYLPHOSPHONATE683-08-9Diethyl methanephosphonateDEMPJRX9AX7374DTXSID80218449RefChem:587242DTXCID50140940211-667-41-[ethoxy(methyl)phosphoryl]oxyethanePhosphonic acid, methyl-, diethyl esterMFCD00009813

Weitere Namen anzeigen

AURORA KA-1413diethylmethanephosphateDIETHYL METHANEPHOSPONATEDiethylmethylphosphonate,97%o,o-Diethyl methylphosphonateMethylphosphonic acid diethyl

C5H13O3PDiethylmethylphosphonateEINECS 211-667-4BRN 1753416Methylphosphonic Acid Diethyl EsterAdefovir Impurity 36diethyl methyphosphonateDiethoxymethylphosphine oxide

Datenbank-Bezeichner

CAS: 683-08-9
PubChem CID: 12685
DTXSID: DTXSID80218449
ChEMBL: CHEMBL5192380
UNII: JRX9AX7374
EC Number: 211-667-4
Nikkaji: J43.477I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 103

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Density1.04 @ 30°C

Boiling Point194 °C @760 [mm Hg]

Physikochemische Eigenschaften

Siedepunkt: 194 °C · 194 °C(lit.)
Dichte: 1.041 g/mL · 1.041 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.414(lit.)
Flammpunkt: 168 °F · 168 °F
storage temp.: Hygroscopic, Refrigerator, under inert atmosphere
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
Farbe: Clear colorless to pale yellow
Wasserlöslichkeit: Miscible with water.
BRN: 1753416 · 1753416
Stabilität: Hygroscopic
InChI: InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3
InChIKey: NYYLZXREFNYPKB-UHFFFAOYSA-N
SMILES: P(C)(=O)(OCC)OCC
CAS Datenbank: 683 · 683-08-9(CAS DataBase Reference)
NIST chemische Informationen: Diethyl methanephosphonate(683-08-9)

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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationPhosphonic acid, methyl-, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

7.3 [mg/m3]

81 [mg/m3]

480 [mg/m3]

Sicherheitsdaten

wgk: 3
hs_code: 29310095
RTECS-Nr.: SZ9085000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenDiethyl methylphosphonate is used as a precursor for the synthesis of gem-difluroalkenyphosphonate via reaction with alpha-trifluromethylstyrene. It is also used in the synthesis of phosphonylated peptides, fluoroalkyl alpha- and beta-aminophosphonates, pyridone alkaloids with neuritogenic activity and lipophilic meropenem-derived prodrugs. It is readily mineralized by photoexcited titanium dioxide (TiO2).