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Benzyltrimethylammoniumhydroxid
TRITON B · N-benzyl-trimethylammonium hydroxide · N,N,N-TriMethyl-1-phenylMethanaMiniuM hydroxide · Benzyltrimethylammonium hydroxide solution · TRITON(R) B · benzyltrimethyl-ammoniuhydroxide · TRIMETHYLBENZYLAMMONIUM HYDROXIDE · sumquat2311
Identifikatoren & physikalische Daten
| CAS No. | 100-85-6 |
|---|---|
| Summenformel | C10H16N.HO |
| Durchschnittliche Molmasse | 167,25 g/mol |
| Monoisotopische Masse | 167,13101416 g/mol |
| SMILES | C[N+](C)(C)Cc1ccccc1.[OH-] |
| InChIKey | NDKBVBUGCNGSJJ-UHFFFAOYSA-M |
| PubChem CID | 66854 |
| ChEMBL | CHEMBL3188269 |
| EC No. | 202-895-5 |
| DTXSID | DTXSID3044332 |
| Lokaler Name | Benzyltrimethylammoniumhydroxid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 1 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 107 |
| Stoffklassen | Nitrogen Compounds -> Quaternary Amines |
| Physical Description | LiquidClear to light yellow liquid with an amine odorMiscible in water[MSDSonline] |
| Schmelzpunkt | 80 °C |
| Siedepunkt | 65°C |
| Dichte | 1.059 g/mL at 25 °C |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | n20/D 1.43 |
| Flammpunkt | 60 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Miscible with alcohols, hydrocarbons, aromatic hydrocarbons and halogenated solvents.Miscible with water, hydrocarbons, aromatic hydrocarbons and halogenated solvents. |
| Aggregatzustand | Solution |
| Farbe | Clear slightly yellow |
| pH | 12 (20°C in H2O, undiluted) |
| Explosionsgrenze | 5.50-36.50% |
| BRN | 3917256 |
| InChI | 1S/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H31H2/q+1/p-1 |
| InChIKey | NDKBVBUGCNGSJJ-UHFFFAOYSA-M |
| SMILES | [OH-].C[N+](C)(C)Cc1ccccc1 |
| LogP (Verteilungskoeffizient) | -3 at 20℃ |
| CAS Datenbank | 100-85-6(CAS DataBase Reference) |
| EPA chemische Informationen | Benzyltrimethylammonium hydroxide (100-85-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.3% (1 of 325) of reports.DangerH224 (12.6%): Extremely flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 325 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanaminium, N,N,N-trimethyl-, hydroxideBenzenemethanaminium, N,N,N-trimethyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanaminium, N,N,N-trimethyl-, hydroxide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/29507Benzyltrimethylammonium hydroxide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Corrosive[MSDSonline] |
| Hazard Classes and Categories | Flam. Liq. 1 (12.6%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 9-23 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3267 8/PG 2 |
| Zollcode | 29239000 |
| RTECS-Nr. | BO8575000 |
| R-Sätze (R) | 34-39/23/24/25-23/24/25-11 |
| Toxizität | LDLo scu-mus: 35 mg/kg JPETAB 28,367,26 |
| Gefahrensymbole | C,T,F |
| Sicherheitshinweise (S) | 26-36/37/39-45-46-16-28A-7 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1A |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Selbstentzündungstemperatur | 455°C |
Anwendungen & Verwendung
Verwenden
Benzyltrimethylammonium hydroxide is used as a phase-transfer catalyst. It is also used in aldol condensation reactions and base-catalyzed dehydration reactions. Further, it serves as a strong organic base and used in Horner-Wadsworth-Emmons olefination reactions. In addition, it is an active component in the formulation, which is used in silicon wafer cleaning applications.