Identifikatoren & physikalische Daten
| CAS No. | 139-07-1 |
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| Summenformel | C21H38N.Cl |
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| Durchschnittliche Molmasse | 340 g/mol |
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| SMILES | CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-] |
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| InChIKey | JBIROUFYLSSYDX-UHFFFAOYSA-M |
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| PubChem CID | 8753 |
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| ChEMBL | CHEMBL1885899 |
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| ChEBI | CHEBI:167208 |
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| EC No. | 205-351-5 |
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| DTXSID | DTXSID2040787 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 0 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 13 |
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| Schwere Atome | 23 |
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| Formalladung | 0 |
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| Komplexität | 240 |
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| Stoffklassen | Nitrogen Compounds -> Quaternary Amines |
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| Kosmetika | PreservativeAntistatic |
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| Pestizide | HerbicidesActive substance -> EU Pesticides database: Not approvedBiocide |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312 (33.2%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 313 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302: Harmful if swallowed [Warning Acute toxicity, oral] |
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| Regulatorische Informationen | Chemical: Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride2004/129/ECStatus: Active Update: 29-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30313N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | Evaluation - Benzalkonium halides |
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| Gefahrenübersicht | Mild skin irritantIngestion hazard[EPA OHM/TADS] Occupational asthma in a pharmacist confirmed by broncho-provocation testing and PEF[Malo] Allergic contact dermatitis is infrequently documented for quaternary ammonium compounds[Marks, p. 266] Quaternary ammonium compounds have curare-like properties when concentrated solutions are ingestedAffected patients may have methemoglobinemia and hemolysis and die within 1-3 hoursElevated liver function tests were reportedConcentrated solutions can cause burnsNo data on carcinogenicity or teratogenicity[IPCS-PIMs] |
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| Hazard Classes and Categories | Acute Tox. 4 (99.7%)Acute toxicity (ingestion) - category 4Skin corrosion/irritation - Category 1Acute toxicity (Oral) - Category 4 |
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| Unerwünschte Wirkungen | Neurotoxin - Other CNS neurotoxin |
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