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Diethylmethylphosphonat
DEMP · DIETHYL METHANEPHOSPHONATE · AURORA KA-1413 · diethylmethanephosphate · DIETHYL METHYLPHOSPHONATE · DIETHYL METHANEPHOSPONATE · Diethylmethylphosphonate,97% · Diethoxymethylphosphine oxide
Identifikatoren & physikalische Daten
| CAS No. | 683-08-9 |
|---|---|
| Summenformel | C5H13O3P |
| Durchschnittliche Molmasse | 152,13 g/mol |
| Monoisotopische Masse | 152,06023091 g/mol |
| SMILES | CCOP(C)(=O)OCC |
| InChIKey | NYYLZXREFNYPKB-UHFFFAOYSA-N |
| PubChem CID | 12685 |
| ChEMBL | CHEMBL5192380 |
| EC No. | 211-667-4 |
| DTXSID | DTXSID80218449 |
| Lokaler Name | Diethylmethylphosphonat |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 103 |
| SpringerMaterials Properties | Boiling point |
| Dichte | 1.04 @ 30°C1.041 g/mL at 25 °C(lit.) |
| Siedepunkt | 194 °C @760 [mm Hg]194 °C(lit.) |
| Brechungsindex | n20/D 1.414(lit.) |
| Flammpunkt | 168 °F |
| Lagerbedingungen | Hygroscopic, Refrigerator, under inert atmosphere |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Miscible with water. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to pale yellow |
| BRN | 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 | 683-08-9(CAS DataBase Reference) |
| NIST chemische Informationen | Diethyl methanephosphonate(683-08-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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. |
|---|---|
| Regulatorische Informationen | Phosphonic acid, methyl-, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Protective Action Criteria (PAC) | 7.3 [mg/m3]81 [mg/m3]480 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29310095 |
| RTECS-Nr. | SZ9085000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
Anwendungen & Verwendung
Verwenden
Diethyl 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).