HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 321485Erstellt: 27. Oktober 2026
ethyl 5-formyl-1H-pyrrole-2-carboxylate
Ethyl 5-formyl-1H-pyrrole-2-carboxylate · 1H-Pyrrole-2-carboxylic acid, 5-forMyl-, ethyl ester
https://huagongshe.com/de/chemical/321485
Identifikatoren & physikalische Daten
| CAS No. | 7126-50-3 |
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| Summenformel | C8H9NO3 |
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| Durchschnittliche Molmasse | 167,16 g/mol |
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| Monoisotopische Masse | 167,05824315 g/mol |
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| SMILES | CCOC(=O)c1ccc(C=O)[nH]1 |
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| InChIKey | HTPFMOGFQKDFHX-UHFFFAOYSA-N |
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| PubChem CID | 321485 |
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| EC No. | 857-121-4 |
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| DTXSID | DTXSID50313576 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 59,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 181 |
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| Schmelzpunkt | 72.5-73.5 °C |
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| Siedepunkt | 82-86 °C(Press: 0.05 Torr) |
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| Dichte | 1.249±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| pKa (Säurekonstante) | 13.45±0.50(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Zollcode | 2933998090 |
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