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Diethylmesoxalat
Diethyl 2-oxomalonate · DIETHYL MESOXALATE · diethyl 2-oxopropanedioate · 1,3-diethyl 2-oxopropanedioate · Propanedioic acid, oxo-, diethyl ester · ketomaL · Keto Malonate · Ethyl mesoxalate
Identifikatoren & physikalische Daten
| CAS No. | 609-09-6 |
|---|---|
| Summenformel | C7H10O5 |
| Durchschnittliche Molmasse | 174,15 g/mol |
| Monoisotopische Masse | 174,05282342 g/mol |
| SMILES | CCOC(=O)C(=O)C(=O)OCC |
| InChIKey | DBKKFIIYQGGHJO-UHFFFAOYSA-N |
| PubChem CID | 69105 |
| EC No. | 210-176-2 |
| DTXSID | DTXSID5060566 |
| Lokaler Name | Diethylmesoxalat |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 176 |
| Schmelzpunkt | -70°C |
| Siedepunkt | 208-210 °C (lit.) |
| Dichte | 1.142 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.415 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), MethanolFully miscible with water. |
| Aggregatzustand | liquid |
| Farbe | green-yellow |
| Wichte | 1.142 |
| Merck | 14,5913 |
| BRN | 971873 |
| InChI | 1S/C7H10O5/c1-3-11-6(9)5(8)7(10)12-4-2/h3-4H2,1-2H3 |
| InChIKey | DBKKFIIYQGGHJO-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(=O)C(=O)OCC |
| CAS Datenbank | 609-09-6(CAS DataBase Reference) |
| NIST chemische Informationen | Propanedioic acid, oxo-, diethyl ester(609-09-6) |
| EPA chemische Informationen | Propanedioic acid, oxo-, diethyl ester (609-09-6) |
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 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanedioic acid, oxo-, diethyl ester |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29183000 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT, MOISTURE SENSITIVE |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Diethyl ketomalonate, reagent employed in Wittig and Aza-Wittig reactions for synthesis of triazoles, and 2-azadienes, respectively.