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HCID 137477Erstellt: 26. Oktober 2026
1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-, ethyl ester
BU · AT-51089 · NSC 121772 · BUTTPARK 36\18-23 · RARECHEM AL BI 1013 · 2-Carboethoxy-3,5-dimethylpyrrole · 2-Ethoxycarbonyl-3,5-dimethylpyrrole · 2,4-Dimethyl-5-(ethoxycarbonyl)pyrrole
https://huagongshe.com/de/chemical/137477
Identifikatoren & physikalische Daten
| CAS No. | 2199-44-2 |
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| Summenformel | C9H13NO2 |
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| Durchschnittliche Molmasse | 167,2 g/mol |
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| Monoisotopische Masse | 167,09462866 g/mol |
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| SMILES | CCOC(=O)c1[nH]c(C)cc1C |
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| InChIKey | IZSBSZYFPYIJDI-UHFFFAOYSA-N |
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| PubChem CID | 137477 |
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| ChEBI | CHEBI:194778 |
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| EC No. | 624-325-8 |
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| DTXSID | DTXSID40176410 |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 42,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 170 |
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| SpringerMaterials Properties | Chemical shift |
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| Schmelzpunkt | 122-126 °C |
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| Siedepunkt | 135-136 °C (10 mmHg) |
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| Dichte | 1.1222 (rough estimate) |
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| Brechungsindex | 1.4680 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 16.27±0.50(Predicted) |
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| Aggregatzustand | Buff Powder |
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| Farbe | Pale yellow to buff |
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| CAS Datenbank | 2199-44-2(CAS DataBase Reference) |
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| NIST chemische Informationen | 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-, ethyl ester(2199-44-2) |
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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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 37/39-26 |
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