HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Diethyl-(2,2-diethoxyethyl)phosphonat
NSC 77101 · NSC 407851 · AURORA KA-1450 · LABOTEST-BB LT01148150 · Diethyl 2,2-diethoxyethyl · DIETHYL 2,2-DIETHOXETHYLPHOSPHONATE · DIETHYL-2,2-DIETHOXYETHYLPHOSPONATE · Diethyl 2,2-diethoxyethylphosphonate
Identifikatoren & physikalische Daten
| CAS No. | 7598-61-0 |
|---|---|
| Summenformel | C10H23O5P |
| Durchschnittliche Molmasse | 254,26 g/mol |
| Monoisotopische Masse | 254,12831047 g/mol |
| SMILES | CCOC(CP(=O)(OCC)OCC)OCC |
| InChIKey | LUQYELQXRPNKRY-UHFFFAOYSA-N |
| PubChem CID | 82071 |
| ChEMBL | CHEMBL105079 |
| EC No. | 231-504-0 |
| DTXSID | DTXSID20226881 |
| Lokaler Name | Diethyl-(2,2-diethoxyethyl)phosphonat |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 54 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 193 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 0.69 |
| Siedepunkt | 146-149 °C14 mm Hg(lit.) |
| Dichte | 1.052 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.430(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, DichloromethaneSoluble in chloroform and dichloromethane. Not miscible or difficult to mix in water. |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| BRN | 1785614 |
| InChI | 1S/C10H23O5P/c1-5-12-10(13-6-2)9-16(11,14-7-3)15-8-4/h10H,5-9H2,1-4H3 |
| InChIKey | LUQYELQXRPNKRY-UHFFFAOYSA-N |
| SMILES | CCOC(CP(=O)(OCC)OCC)OCC |
| CAS Datenbank | 7598-61-0(CAS DataBase Reference) |
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2810 |
| Zollcode | 29319090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Diethyl 2,2-diethoxyethylphosphonate can be used as a useful wittig reagent.