Identifikatoren & physikalische Daten
| CAS No. | 21690-26-6 |
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| Summenformel | C8H13BrO |
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| Durchschnittliche Molmasse | 205,09 g/mol |
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| Monoisotopische Masse | 204,01497714 g/mol |
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| SMILES | CC1(C)CCCC(Br)C1=O |
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| InChIKey | NQKPKIZHPZWYJJ-UHFFFAOYSA-N |
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| PubChem CID | 313129 |
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| EC No. | 872-303-3 |
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| DTXSID | DTXSID40310377 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
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| Polarare Oberfläche (TPSA) | 17,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 151 |
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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 2 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 | Skin Irrit. 2 (100%) |
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