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Bis(trimethylsilyl)malonat
Malonic acid (tms) · Malonic acid, bis-TMS · BIS(TRIMETHYLSILYL) MALONATE · Bis(trimethylsilyl) malonate,98% · Bis(trimethylsilyl) Malonate >bis(trimethylsilyl) propanedioate · Bis(triMethylsilyl) Malonate, 98% 50GR · Malonic acid, di(trimethylsilyl) ester · MALONIC ACID BIS(TRIMETHYLSILYL) ESTER
Identifikatoren & physikalische Daten
| CAS No. | 18457-04-0 |
|---|---|
| Summenformel | C9H20O4Si2 |
| Durchschnittliche Molmasse | 248,42 g/mol |
| Monoisotopische Masse | 248,09001218 g/mol |
| SMILES | C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C |
| InChIKey | ATCKJLDGNXGLAO-UHFFFAOYSA-N |
| PubChem CID | 87656 |
| EC No. | 242-342-5 |
| DTXSID | DTXSID30171590 |
| Lokaler Name | Bis(trimethylsilyl)malonat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 52,6 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 224 |
| Kovats Retention Index | 11901201119611971200117411981210.6116112151217.812051216122112111214 |
| Schmelzpunkt | 56 °C |
| Siedepunkt | 63-66 °C/1 mmHg (lit.) |
| Dichte | 0.974 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.416(lit.) |
| Flammpunkt | 75 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 12.18±0.46(Predicted) |
| Farbe | Clear colorless to straw |
| Wichte | 0.97 |
| BRN | 2212115 |
| InChI | 1S/C9H20O4Si2/c1-14(2,3)12-8(10)7-9(11)13-15(4,5)6/h7H2,1-6H3 |
| InChIKey | ATCKJLDGNXGLAO-UHFFFAOYSA-N |
| SMILES | C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C |
| CAS Datenbank | 18457-04-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | No |
| UN-Transportnummer | UN 3272 3/PG 2 |
| Zollcode | 29319090 |
| R-Sätze (R) | 11 |
| Gefahrensymbole | F |
| Sicherheitshinweise (S) | 16 |
| Gefahrenklasse | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Bis(trimethylsilyl) malonate was used as cyclocondensation agent in cyclocondensation reactions. It was also used in the preparation of β-keto acids and methyl ketones.