HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Diethyl-(chloromethyl)phosphonat
NSC 67753 · Diethyl (chloromethyl) · Diethyl (chloromethyl)phosphonate · [DIETHYL-(CHLORMETHYL)]-PHOSPHONAT · Diethyl chloromethylphosphonate 97% · Diethyl P-(chloromethyl)phosphonate · Diethyl (Chloromethyl)phosphonate >Diethyl (chloromethyl)phosphonate,98% · Diethyl(chloromethyl)phosphonate, 97 %
Identifikatoren & physikalische Daten
| CAS No. | 3167-63-3 |
|---|---|
| Summenformel | C5H12ClO3P |
| Durchschnittliche Molmasse | 186,57 g/mol |
| Monoisotopische Masse | 186,0212589 g/mol |
| SMILES | CCOP(=O)(CCl)OCC |
| InChIKey | MZBIWKMCTWJLPT-UHFFFAOYSA-N |
| PubChem CID | 76633 |
| EC No. | 221-632-5 |
| DTXSID | DTXSID1062883 |
| Lokaler Name | Diethyl-(chloromethyl)phosphonat |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 118 |
| Siedepunkt | 109-110 °C10 mm Hg(lit.) |
| Dichte | 1.2 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.437(lit.) |
| Flammpunkt | 188 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | sol THF, ether, dichloromethane, chloroform |
| Aggregatzustand | Liquid |
| Wichte | 1.2 |
| Farbe | Clear colorless to light yellow |
| BRN | 1363361 |
| InChI | 1S/C5H12ClO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3 |
| InChIKey | MZBIWKMCTWJLPT-UHFFFAOYSA-N |
| SMILES | CCOP(=O)(CCl)OCC |
| EPA chemische Informationen | Phosphonic acid, (chloromethyl)-, diethyl ester (3167-63-3) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29319090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reactant involved in:Subsequent alkylation after nucleophilic substitutionOne-pot alkylation-boration of α-haloalkylphosphonatesSynthesis of cyclpentane and pyrrolidine derivatives via regioselective insertion reactionsPhosphorylation leading to P-containing cyclopropanesWadsworth-Emmons reactionsRing expansion of zircnacycles via carbenoid insertion