HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 137479Erstellt: 27. Oktober 2026
Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
AT-51095 · thyl 3,4,5-trimethylpyrrole-2-carboxylate · Ethyl 3,4,5-Trimethyl-2-pyrrolecarboxylate · Ethyl 3,4,5-trimethylpyrrole-2-carboxylate · Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate · ETHYL 4-METHYL-3,5-DIMETHYLPYRROLE-2-CARBOXYLATE · 3,4,5-Trimethylpyrrole-2-carboxylic acid ethyl ester · 3,4,5-TRIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
https://huagongshe.com/de/chemical/137479
Identifikatoren & physikalische Daten
| CAS No. | 2199-46-4 |
|---|
| Summenformel | C10H15NO2 |
|---|
| Durchschnittliche Molmasse | 181,23 g/mol |
|---|
| Monoisotopische Masse | 181,11027872 g/mol |
|---|
| SMILES | CCOC(=O)c1[nH]c(C)c(C)c1C |
|---|
| InChIKey | WBOGFZDTCIQHSX-UHFFFAOYSA-N |
|---|
| PubChem CID | 137479 |
|---|
| ChEMBL | CHEMBL1701700 |
|---|
| EC No. | 162-295-3 |
|---|
| DTXSID | DTXSID60176412 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|
| Polarare Oberfläche (TPSA) | 42,1 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 13 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 193 |
|---|
| Schmelzpunkt | 125-126°C |
|---|
| Siedepunkt | 298.1±35.0 °C(Predicted) |
|---|
| Dichte | 1.059±0.06 g/cm3(Predicted) |
|---|
| pKa (Säurekonstante) | 16.57±0.50(Predicted) |
|---|
| BRN | 132613 |
|---|
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
| Sicherheitshinweise (S) | 24/25 |
|---|
Anwendungen & Verwendung
Verwenden
Octamethylporphyrin was readily obtained from ethyl 3,4,5-trimethylpyrrole-2-carboxylate. Steric control can be overridden by apparent electronic effect is demonstrated by the even bulkier pyrrole derivative, ethyl 3,4,5-trimethylpyrrole-2-carboxylate. The reaction with diazonium salts of theEthyl 3,4,5-trimethylpyrrole-2-carboxylatehas been examined in detail by chromatographic and spectroscopic methods. In the presence of a strong mineral acid, Ethyl 3,4,5-trimethylpyrrole-2-carboxylate reacts with p-nitrobenzenediazonium ions to give a red, chemically labile, azo dye.
