HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Diethyl-(cyanomethyl)phosphonat
2-Diethoxyphosphorylacetonitrile · cyanomethyL · DEPAN · CYANOMETHYLPHOSPHONIC ACID DIETHYL ESTER · NSC 407826 · Diethyl cyanomethylp · LABOTEST-BB LT00233137 · Diethyl cyanomethylphosphote
Identifikatoren & physikalische Daten
| CAS No. | 2537-48-6 |
|---|---|
| Summenformel | C6H12NO3P |
| Durchschnittliche Molmasse | 177,14 g/mol |
| Monoisotopische Masse | 177,05547987 g/mol |
| SMILES | CCOP(=O)(CC#N)OCC |
| InChIKey | KWMBADTWRIGGGG-UHFFFAOYSA-N |
| PubChem CID | 75676 |
| EC No. | 219-806-0 |
| DTXSID | DTXSID20180015 |
| Lokaler Name | Diethyl-(cyanomethyl)phosphonat |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 59,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 185 |
| Siedepunkt | 101-102 °C0.4 mm Hg(lit.) |
| Dichte | 1.095 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.434(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Soluble), Methanol (Slightly)Miscible with water, chloroform, terahydrofuran, ethyl acetate and methylene chloride. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Wichte | 1.1261.095 |
| BRN | 1772981 |
| InChI | InChI=1S/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3 |
| InChIKey | KWMBADTWRIGGGG-UHFFFAOYSA-N |
| SMILES | P(CC#N)(=O)(OCC)OCC |
| CAS Datenbank | 2537-48-6(CAS DataBase Reference) |
| NIST chemische Informationen | Diethyl cyanomethylphosphonate(2537-48-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (32.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Diethyl cyanomethylphosphonate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (32.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1760 8/PG 2 |
| Zollcode | 29310095 |
| R-Sätze (R) | 38-36/37/38-20/21/22-34-36/38 |
| Gefahrensymbole | Xi,Xn,C |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-28-36/37/39-23-45-27-36/37-9 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Wittig reagent.