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Dimethyl-(2-oxopropyl)phosphonat
DIMETHYL (2-OXOPROPYL)PHOSPHONATE · 1-Dimethoxyphosphorylpropan-2-one · DIMETHYL ACE · LABOTEST-BB LT00847718 · Dimethyl(2-oxopropyl)phosph · DIMETHYL ACETONYLPHOSPHONATE · Dimethyl acetylmethylphosphote · DIMETHYL ACETYLMETHYLPHOSPHONATE
Identifikatoren & physikalische Daten
| CAS No. | 4202-14-6 |
|---|---|
| Summenformel | C5H11O4P |
| Durchschnittliche Molmasse | 166,11 g/mol |
| Monoisotopische Masse | 166,03949546 g/mol |
| SMILES | COP(=O)(CC(C)=O)OC |
| InChIKey | UOWIYNWMROWVDG-UHFFFAOYSA-N |
| PubChem CID | 77872 |
| EC No. | 224-110-5 |
| DTXSID | DTXSID90194846 |
| Lokaler Name | Dimethyl-(2-oxopropyl)phosphonat |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 157 |
| Stoffklassen | Other Classes -> Organophosphates, Other |
| LogP (Verteilungskoeffizient) | 0.86 |
| Dampfdruck | 0.07 [mmHg] |
| Physical Description | Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Siedepunkt | 76-79 °C3 mm Hg(lit.) |
| Dichte | 1.202 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.439(lit.) |
| Flammpunkt | 200 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Difficult to mix. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light brown |
| BRN | 1766218 |
| InChI | InChI=1S/C5H11O4P/c1-5(6)4-10(7,8-2)9-3/h4H2,1-3H3 |
| InChIKey | UOWIYNWMROWVDG-UHFFFAOYSA-N |
| SMILES | P(CC(=O)C)(=O)(OC)OC |
| CAS Datenbank | 4202-14-6(CAS DataBase Reference) |
| NIST chemische Informationen | Dimethyl (2-oxopropyl)phosphonate(4202-14-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See Dimethyl methylphosphonate, Diisopropyl methylphosphonate, and Diethyl ethylphosphonate. |
| Hazard Classes and Categories | Acute Tox. 4 (75%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29310095 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Dimethyl acetylmethylphosphonate is a Reagent used together with tosyl azide in a one-pot alkynylation of aldehydes.