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Cetylpyridiniumbromid
CETYLPYRIDINIUM BROMIDE · HEXADECYLPYRIDINIUM BROMIDE · Hexadecylpyridinium Bromide Hydrate · bromocet · 1-Hexadecylpyridinium · Cetylpyridine bromide · hexadecylpyridine bromide · N-HEXADECYLPYRIDINIUM BROMIDE
Identifikatoren & physikalische Daten
| CAS No. | 140-72-7 |
|---|---|
| Summenformel | C21H38N.Br |
| Durchschnittliche Molmasse | 384,4 g/mol |
| SMILES | CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-] |
| InChIKey | DVBJBNKEBPCGSY-UHFFFAOYSA-M |
| PubChem CID | 8816 |
| ChEMBL | CHEMBL334255 |
| ChEBI | CHEBI:77052 |
| EC No. | 205-428-3 |
| DTXSID | DTXSID3033307 |
| Lokaler Name | Cetylpyridiniumbromid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 3,9 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 15 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 208 |
| Stoffklassen | Nitrogen Compounds -> Quaternary Amines |
| LogP (Verteilungskoeffizient) | log Kow= 1.83 |
| Color/Form | Cream-colored, waxy solid |
| Löslichkeit | Soluble in acetone, ethanol, and chloroformsoluble in Chloroform,Methanol,Acetone,Ethanol5 g/L (20 ºC) |
| Decomposition | When heated to decomposition it emits toxic vapors of /nitrogen oxides/ and /bromides/. |
| Schmelzpunkt | 64.5 °C63-69 °C |
| Physical Description | Cream-colored solid[HSDB] White powder[Acros Organics MSDS] |
| Other Experimental Properties | A quaternary ammonium compound |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 3778948 |
| InChI | InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H31H/q+1/p-1 |
| InChIKey | DVBJBNKEBPCGSY-UHFFFAOYSA-M |
| SMILES | [N+]1(CCCCCCCCCCCCCCCC)C=CC=CC=1.[Br-] |
| LogP (Verteilungskoeffizient) | 1.699 (est) |
| CAS Datenbank | 140-72-7(CAS DataBase Reference) |
| EPA chemische Informationen | Cetylpyridinium bromide (140-72-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (96.1%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Pyridinium, 1-hexadecyl-, bromideCetylpyridinium bromide: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Alkyl pyridinium surfactants |
| Gefahrenübersicht | Topical use during pregnancy unlikely to cause teratogenic effects[ToxPlanet: TERIS] Causes changes in leukocyte count, dermatitis, and effects on true cholinesterase in 21-day intermittent dermal studies of rats[RTECS] A severe irritant that may cause eye injuryHarmful by ingestionHighly toxic by inhalationChloride salt: Not a skin sensitizer in guinea pigsLC50 (rat) = 90 mg/m3/4hr[Acros Organics MSDS] See Cetylpyridinium chloride. |
| FIFRA-Anforderungen | As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA, as amended in 1988, were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Cetylpyridinium bromide is found on List C. Case No: 3013Pesticide type: insecticide, fungicide, rodenticide, antimicrobial |
Anwendungen & Verwendung
Beschreibung
1-Hexadecylpyridinium bromide is a cationic surfactant capable of bactericidal activity and has been used for ion exchange. As a bactericidal agent, it reduces the surface tension between pathogenic membranes and their environments. This interaction disrupts membrane integrity and osmoregulation, leading to cell lysis. It has also been shown to quickly and efficiently remove metal ions from solutions. The compound removes cations from the solution through a cation/surfactant complex, which precipitates from an aqueous phase into an organic phase and can subsequently be extracted. It is an effective ion exchange agent for extracting DNA and proteins.