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Tributylhexadecylphosphoniumbromid
TBHDPB · HEXADECYLTRIBUTYLPHOSPHONIUM BROMIDE · TRIBUTYLHEXADECYLPHOSPHONIUM BROMIDE · tri-n-butylhexadecylphosphonium bromide · HISHICOLIN PX-416B · Tributyl(hexadecyl) · Hexadecyl tributyl p · CETYLTRIBUTYLPHOSPHONIUM BROMIDE
Identifikatoren & physikalische Daten
| CAS No. | 14937-45-2 |
|---|---|
| Summenformel | C28H60P.Br |
| Durchschnittliche Molmasse | 507,7 g/mol |
| Monoisotopische Masse | 506,36160065 g/mol |
| SMILES | CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-] |
| InChIKey | RYVBINGWVJJDPU-UHFFFAOYSA-M |
| PubChem CID | 84716 |
| ChEMBL | CHEMBL110738 |
| EC No. | 239-014-9 |
| DTXSID | DTXSID50884776 |
| Lokaler Name | Tributylhexadecylphosphoniumbromid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 0 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 24 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 277 |
| Stoffklassen | Other Classes -> Phosphorus Compounds |
| Physical Description | White hygroscopic powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 56-58 °C(lit.) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | methanol: 0.1 g/mL, clear |
| Aggregatzustand | crystal |
| Farbe | white |
| BRN | 4167404 |
| InChI | InChI=1S/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4/h5-28H2,1-4H31H/q+1/p-1 |
| InChIKey | RYVBINGWVJJDPU-UHFFFAOYSA-M |
| SMILES | [P+](CCCC)(CCCC)(CCCC)CCCCCCCCCCCCCCCC.[Br-] |
| CAS Datenbank | 14937-45-2(CAS DataBase Reference) |
| EPA chemische Informationen | Phosphonium, tributylhexadecyl-, bromide (14937-45-2) |
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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phosphonium, tributylhexadecyl-, bromidePhosphonium, tributylhexadecyl-, bromide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Benzyltriphenylphosphonium bromide. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2931599090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Tributylhexadecylphosphonium Bromide (CAS# 14937-45-2) is a dynamic compound used as a surface modifier for thermal properties of palygorskite, an additive in water to improve resistance of epoxy-anhydride matrices, and as a modifier of phenolic resin to improve thermal degradation.
Herstellung & Synthese
synthetische
Cetyltributylphosphonium bromide is prepared by heating equimolar amounts of 1-bromohexadecane and Tri-n-butylphosphine at 65 °C for 3 days (yield 68%).