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Diethyl (trichloromethyl)phosphonate
Ro-30658 · TIMTEC-BB SBB008195 · DIETHYL TRICHLOROMETHYLPHOSPHONATE · diethyl trichloromethanephosphonate · Trichloromethylphosphonic acid diethyl · Diethyl (trichloromethyl)phosphonate 97% · (Trichloromethyl)phosphonic acid diethyl · Diethyl (Trichloromethyl)phosphonate >trichloromethyl-phosphonicacidiethylester
Identifikatoren & physikalische Daten
| CAS No. | 866-23-9 |
|---|---|
| Summenformel | C5.H10.Cl3.O3.P |
| Durchschnittliche Molmasse | 255,5 g/mol |
| Monoisotopische Masse | 253,94331385 g/mol |
| SMILES | CCOP(=O)(OCC)C(Cl)(Cl)Cl |
| InChIKey | RVAQSYWDOSHWGP-UHFFFAOYSA-N |
| PubChem CID | 70085 |
| EC No. | 622-785-4 |
| DTXSID | DTXSID50235688 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 169 |
| SpringerMaterials Properties | Viscosity |
| Dichte | 1.362 @25 °C1.362 g/mL at 25 °C (lit.) |
| Siedepunkt | 130-131 °C/14 mmHg (lit.) |
| Brechungsindex | n20/D 1.463(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | 4.5g/L(25 ºC) |
| BRN | 1210640 |
| InChI | InChI=1S/C5H10Cl3O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3 |
| InChIKey | RVAQSYWDOSHWGP-UHFFFAOYSA-N |
| SMILES | P(C(Cl)(Cl)Cl)(=O)(OCC)OCC |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (11.1%) |
| Protective Action Criteria (PAC) | 2.4 [mg/m3]26 [mg/m3]160 [mg/m3] |
| F | 9-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN3278 |
| Zollcode | 29319000 |
| RTECS-Nr. | TA0988000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-60-36/37 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Diethyl (trichloromethyl)phosphonate may be used in the synthesis of chlorovinyl phosphonates via reaction with aldehydes and ketones.
Herstellung & Synthese
synthetische
Diethyl trichloromethylphosphonate was also obtained from diethyltrimethylsilyl phosphite in 60 % yield, and from benzyldiethyl phosphite in the presence of dibenzoyl peroxide and an ultraviolet source in a radical induced reaction in 87 % yield (compared to 26 % without the dibenzoyl peroxide).