HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 711549Erstellt: 4. November 2026
2-(4-Chlorobenzylidene)quinuclidin-3-one
SALOR-INT L211281-1EA · 2-(4-CHLOROBENZYLIDENE)QUINUCLIDIN-3-ONE · 2-[(4-Chlorophenyl)methylene]-1-azabicyclo[2.2.2]octan-3-one · 1-Azabicyclo[2.2.2]octan-3-one, 2-[(4-chlorophenyl)methylene]- · (2Z)-2-[(4-Chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
https://huagongshe.com/de/chemical/711549
Identifikatoren & physikalische Daten
| CAS No. | 54529-43-0 |
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| Summenformel | C14H14ClNO |
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| Durchschnittliche Molmasse | 247,72 g/mol |
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| Monoisotopische Masse | 247,0763918 g/mol |
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| SMILES | O=C1/C(=C/c2ccc(Cl)cc2)N2CCC1CC2 |
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| InChIKey | KHICWBBWZMQJKM-LCYFTJDESA-N |
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| PubChem CID | 711549 |
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| EC No. | 632-336-4 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 20,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 336 |
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| Schmelzpunkt | 112.5-114.5 °C(Solv: ethanol (64-17-5)) |
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| Siedepunkt | 423.2±44.0 °C(Predicted) |
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| Dichte | 1.28±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.14±0.20(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
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| Zollcode | 2933998090 |
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