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HCID 697607Erstellt: 30. Oktober 2026
3-(1H-Pyrrol-1-ylmethyl)pyridin
TIMTEC-BB SBB003989 · 1-(3-PYRIDYLMETHYL)PYRROLE · N-(PYRID-3-YLMETHYL)PYRROLE · 3-(1-Pyrrolylmethyl)pyridine · 3-(PYRROL-1-YLMETHYL)PYRIDINE · 1-(3-Pyridylmethyl)-1H-pyrrole · 3-(1-Pyrrolylmethyl)pyridine>3-(1H-PYRROL-1-YLMETHYL)PYRIDINE · Pyridine,3-(1H-pyrrol-1-ylmethyl)-
https://huagongshe.com/de/chemical/697607
Identifikatoren & physikalische Daten
| CAS No. | 80866-95-1 |
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| Summenformel | C10H10N2 |
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| Durchschnittliche Molmasse | 158,2 g/mol |
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| Monoisotopische Masse | 158,08439833 g/mol |
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| SMILES | c1cncc(Cn2cccc2)c1 |
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| InChIKey | PJVWPGGKILHMKW-UHFFFAOYSA-N |
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| PubChem CID | 697607 |
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| EC No. | 279-598-2 |
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| DTXSID | DTXSID80230762 |
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| Lokaler Name | 3-(1H-Pyrrol-1-ylmethyl)pyridin |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 17,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 130 |
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| Schmelzpunkt | 59-64 °C(lit.) |
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| Siedepunkt | 273.29°C (rough estimate) |
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| Dichte | 1.1192 (rough estimate) |
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| Brechungsindex | 1.6392 (estimate) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 4.23±0.10(Predicted) |
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| Farbe | White to Light yellow to Light orange |
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| CAS Datenbank | 80866-95-1(CAS DataBase Reference) |
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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 41 reports by companies from 4 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 | 29329990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39 |
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