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Triethylmethantricarboxylat
TRIETHYL CARBOXYMALONATE · Tris(ethoxycarbonyl)methane · AURORA KA-1885 · TRICARBETHOXYMETHANE · Tricarboethoxymethane · tris(carboethoxy)methane · Tri(ethoxycarbonyl)methane · Ethyl Acetate Impurity 131
Identifikatoren & physikalische Daten
| CAS No. | 6279-86-3 |
|---|---|
| Summenformel | C10H16O6 |
| Durchschnittliche Molmasse | 232,23 g/mol |
| Monoisotopische Masse | 232,09468823 g/mol |
| SMILES | CCOC(=O)C(C(=O)OCC)C(=O)OCC |
| InChIKey | AGZPNUZBDCYTBB-UHFFFAOYSA-N |
| PubChem CID | 80471 |
| EC No. | 228-477-2 |
| DTXSID | DTXSID50211866 |
| Lokaler Name | Triethylmethantricarboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 78,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 217 |
| Schmelzpunkt | 25-26 °C (lit.) |
| Siedepunkt | 253 °C (lit.) |
| Dichte | 1.095 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.424(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly)immiscible |
| Aggregatzustand | Liquid After Melting |
| pKa (Säurekonstante) | 9.13±0.59(Predicted) |
| Farbe | Clear colorless to yellow |
| BRN | 1793645 |
| InChI | InChI=1S/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H3 |
| InChIKey | AGZPNUZBDCYTBB-UHFFFAOYSA-N |
| SMILES | C(C(=O)OCC)(C(=O)OCC)C(=O)OCC |
| CAS Datenbank | 6279-86-3(CAS DataBase Reference) |
| NIST chemische Informationen | Triethyl methanetricarboxylate(6279-86-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Methanetricarboxylic acid, triethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29171990 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Triethyl Methanetricarboxylate is used in the synthesis of novel inhibitors of Hsp90. It is also used in the preparation of novel dihydroquinoline-3-carboxylic acids that function as HIV-1 integrase i nhibitors.