Tetrabutylammoniumhydrogensulfat
TBAHS · Bu4NHSO4 · TETRABUTYLAMMONIUM BISULFATE · IPC-TBA-HS · TETRABUTYLAMMONIUM HYDROGEN SULPHATE · ammonium hydrog · hydrogen sulfate,tetrabutylazanium · TETRA-N-BUTYLAMMONIUM HYDROGENSULFATE
Identifikatoren & physikalische Daten
| CAS No. | 32503-27-8 |
|---|---|
| Summenformel | C16H36N.HO4S |
| Durchschnittliche Molmasse | 339,5 g/mol |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)([O-])O |
| InChIKey | SHFJWMWCIHQNCP-UHFFFAOYSA-M |
| PubChem CID | 94433 |
| ChEMBL | CHEMBL1079247 |
| EC No. | 251-068-5 |
| DTXSID | DTXSID4067690 |
| Lokaler Name | Tetrabutylammoniumhydrogensulfat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 85,8 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 192 |
| Stoffklassen | Nitrogen Compounds -> Quaternary Amines |
| Physical Description | White crystalline powderHygroscopic[Alfa Aesar MSDS] |
| Schmelzpunkt | 171-174 °C |
| Siedepunkt | 213.3-593.92℃[at 101 325 Pa] |
| Dichte | 1.01 |
| Dampfdruck | 0Pa at 25℃ |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | H2O: soluble10% (w/v), clear, colorless |
| Aggregatzustand | Solution |
| Farbe | White to beige |
| Wichte | 1.01 |
| Geruch | Amine like |
| pH | 1-2 (100g/l, H2O, 20℃) |
| BRN | 3599663 |
| Stabilität | Stable, but moisture sensitive. Incompatible with strong oxidizing agents. |
| InChI | 1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-41-5(2,3)4/h5-16H2,1-4H3(H2,1,2,3,4)/q+1/p-1 |
| InChIKey | SHFJWMWCIHQNCP-UHFFFAOYSA-M |
| SMILES | OS([O-])(=O)=O.CCCC[N+](CCCC)(CCCC)CCCC |
| LogP (Verteilungskoeffizient) | 0.96 at 25℃ |
| CAS Datenbank | 32503-27-8(CAS DataBase Reference) |
| NIST chemische Informationen | Tetrabutylammonium hydrogen sulfate(32503-27-8) |
| EPA chemische Informationen | Tetrabutylammonium sulfate (1:1) (32503-27-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.4% (1 of 231) of reports.DangerH302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 231 reports by companies from 28 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Butanaminium, N,N,N-tributyl-, sulfate (1:1)Status: Active Update: 06-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18908Tetrabutylammonium hydrogen sulphate: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritantToxic by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (90.9%) |
| F | 8-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29239000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1 |
Anwendungen & Verwendung
Verwenden
A compound that displays antibacterial properties due to the presence of the quaternary amine and the counter ion. Tetrabutylammonium hydrogen sulfate is an ion pairing reagent that is used in liquid chromatography. It is frequently utilized in the analysis of pharmaceutical compounds and metabolites.
Herstellung & Synthese
synthetische
Tetrabutylammonium hydrogen sulfate can be prepared from tetrabutylammonium azide by treating it with potassium hydrogen sulfate and 10% aqueous sulfuric acid in aqueous medium or from tetrabutylammonium thiocyanate by treating it with relatively concentrated sulfuric acid (70%) at 75 °C.