HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Diethyl 3,4-pyrroledicarboxylate
Diethyl 3,4-pyrroledicarboxylate · diethyl 1H-pyrrole-3,4-dicarboxylate · Diethyl 3,4-pyrroledicarboxylate 98% · 1H-Pyrrole-3,4-dicarboxylic acid, 3,4-diethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 41969-71-5 |
|---|---|
| Summenformel | C10H13NO4 |
| Durchschnittliche Molmasse | 211,21 g/mol |
| Monoisotopische Masse | 211,0844579 g/mol |
| SMILES | CCOC(=O)c1c[nH]cc1C(=O)OCC |
| InChIKey | QKXBVVVYILIRDO-UHFFFAOYSA-N |
| PubChem CID | 688199 |
| EC No. | 628-329-0 |
| DTXSID | DTXSID90350829 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 68,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 218 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 147-149 °C (dec.) (lit.) |
| Siedepunkt | 373.5±22.0 °C(Predicted) |
| Dichte | 1.196±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Storage temp. 2-8°C |
| pKa (Säurekonstante) | 13.83±0.50(Predicted) |
| InChI | 1S/C10H13NO4/c1-3-14-9(12)7-5-11-6-8(7)10(13)15-4-2/h5-6,11H,3-4H2,1-2H3 |
| InChIKey | QKXBVVVYILIRDO-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1c[nH]cc1C(=O)OCC |
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Diethyl 3,4-pyrroledicarboxylate may be used in the synthesis of trisubstituted pyrroles like diethyl 1-hydroxymethyl-3,4-pyrroledicarboxylate and diethyl 1-benzoyloxyrmethyl-3,4-pyrroledicarboxylate. It is also used to prepare pyrrole copolymer soft actuators with reduced electrochemical creep and actuating strain.