HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2050101Erstellt: 27. Oktober 2026
5-(1H-pyrrol-1-yl)pyridine-3-carboxylic acid
AKOS BBS-00001374 · IFLAB-BB F1926-0019 · 5-PYRROL-1-YL-NICOTINIC ACID · 5-(1-PYRROLYL)NICOTINIC ACID · 5-(1H-PYRROL-1-YL)NICOTINIC ACID · 5-pyrrol-1-ylpyridine-3-carboxylicaci · 5-pyrrol-1-ylpyridine-3-carboxylic acid · 5-(1H-Pyrrol-1-yl)pyridine-3-carboxylic acid
https://huagongshe.com/de/chemical/2050101
Identifikatoren & physikalische Daten
| CAS No. | 690632-31-6 |
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| Summenformel | C10H8N2O2 |
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| Durchschnittliche Molmasse | 188,18 g/mol |
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| Monoisotopische Masse | 188,0585775 g/mol |
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| SMILES | O=C(O)c1cncc(-n2cccc2)c1 |
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| InChIKey | MBHJQDUXANKYCO-UHFFFAOYSA-N |
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| PubChem CID | 2050101 |
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| EC No. | 830-897-1 |
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| DTXSID | DTXSID20365986 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
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| Polarare Oberfläche (TPSA) | 55,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 214 |
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| Siedepunkt | 412.7±35.0 °C(Predicted) |
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| Dichte | 1.28±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.00±0.10(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 | 2933399990 |
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| R-Sätze (R) | 36 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26 |
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