Identifikatoren & physikalische Daten
| CAS No. | 24556-65-8 |
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| Summenformel | C13H8Br3NO2 |
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| Durchschnittliche Molmasse | 449,92 g/mol |
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| Monoisotopische Masse | 446,81052 g/mol |
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| SMILES | O=C(Nc1ccccc1)c1cc(Br)c(Br)c(Br)c1O |
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| InChIKey | WLYIIDKKPCXCLS-UHFFFAOYSA-N |
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| PubChem CID | 90539 |
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| EC No. | 246-311-7 |
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| DTXSID | DTXSID90179294 |
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Chemische & physikalische Eigenschaften
| XLogP | 5 |
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| Polarare Oberfläche (TPSA) | 49,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 323 |
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| Stoffklassen | Other Classes -> Halogenated Salicylanilides |
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Sicherheit & Vorschriften
| Gefahrenübersicht | The halogenated salicylanilides may cause photoallergic contact dermatitis (PACD). Patients with PACD note the appearance of a eczematous rash, usually on the face, neck, dorsum of the hands, and sun-exposed areas on the arms with sparing of areas under the chin and upper eyelids. [LaDou, p. 334] |
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| Unerwünschte Wirkungen | Dermatotoxin - PACD (photoallergic contact dermatitis). |
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