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HCID 19367113Erstellt: 24. Oktober 2026
3-Chloro-4-(piperazin-1-yl)benzonitrile
3-Chloro-4-(piperazin-1-yl)benzonitrile · Benzonitrile, 3-chloro-4-(1-piperazinyl)-
https://huagongshe.com/de/chemical/19367113
Identifikatoren & physikalische Daten
| CAS No. | 182181-32-4 |
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| Summenformel | C11H12ClN3 |
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| Durchschnittliche Molmasse | 221,68 g/mol |
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| SMILES | N#Cc1ccc(N2CCNCC2)c(Cl)c1 |
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| InChIKey | MXPSPUJYQPNITO-UHFFFAOYSA-N |
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| PubChem CID | 19367113 |
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| EC No. | 961-068-3 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 39,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 254 |
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| Siedepunkt | 391.6±42.0 °C(Predicted) |
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| Dichte | 1.28±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 8.66±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, P317, 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 | 2933599590 |
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