Identifikatoren & physikalische Daten
| CAS No. | 5330-43-8 |
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| Summenformel | C13H9Cl2N |
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| Durchschnittliche Molmasse | 250,12 g/mol |
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| Monoisotopische Masse | 249,0112047 g/mol |
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| SMILES | Clc1ccc(C=Nc2ccccc2)c(Cl)c1 |
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| InChIKey | SINQMFOWBAZMNV-UHFFFAOYSA-N |
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| PubChem CID | 220149 |
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| ChEMBL | CHEMBL2397690 |
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| EC No. | 667-110-4 |
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| DTXSID | DTXSID00277472 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
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| Polarare Oberfläche (TPSA) | 12,4 |
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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 | 16 |
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| Formalladung | 0 |
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| Komplexität | 236 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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