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| | Tetrabutylammonium Fluoride Basic information |
| | Tetrabutylammonium Fluoride Chemical Properties |
| Melting point | 62-63 °C(lit.) | | density | 0.953 g/mL at 25 °C | | refractive index | n20/D 1.456 | | Fp | 1 °F | | storage temp. | 2-8°C | | solubility | Miscible with terahydrofuran, acetonitrile, dimethyl sulfoxide and organic solvents. | | form | Solution | | color | Clear light greenish to brown | | Water Solubility | Insoluble in water. | | Sensitive | Hygroscopic | | Merck | 14,9187 | | BRN | 3570522 | | Exposure limits | ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3 | | InChI | 1S/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1 | | InChIKey | FPGGTKZVZWFYPV-UHFFFAOYSA-M | | SMILES | [F-].CCCC[N+](CCCC)(CCCC)CCCC | | CAS DataBase Reference | 429-41-4(CAS DataBase Reference) | | EPA Substance Registry System | 1-Butanaminium, N,N,N-tributyl-, fluoride (429-41-4) |
| Hazard Codes | C,F,Xi | | Risk Statements | 34-19-11-36/37/38-40-37 | | Safety Statements | 26-27-36/37/39-45-33-29-16-36 | | RIDADR | UN 3261 8/PG 2 | | WGK Germany | 3 | | F | 3 | | Hazard Note | Flammable/Irritant | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29239000 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Irrit. 2
Repr. 2
Skin Irrit. 2 |
| | Tetrabutylammonium Fluoride Usage And Synthesis |
| Chemical Properties | Clear light greenish to amber or brown solution | | Uses | Catalyst for etherification of alcohols and phenols with alkyl halides Catalyst for benzylation reactions. | | Uses | Tetrabutylammonium fluoride is a reagent in organic syntheses in addition, condensation, base-catalyzed cyclization reactions, fluorination and desulfonylation reactions and as a deprotecting agent. Typically dried prior to use. | | Uses | Tetrabutylammonium fluoride (TBAF) is a commonly used organic soluble fluoride salt. It is used as a base, a phase transfer catalyst, and as a fluoride source. In the research field of fluoride sensor development, TBAF is used as an easy to handle and measurable fluoride anion source. The fluoride in TBAF, once dissolved, can be thought of as a free fluoride with little interaction with the ammonium cation. Since TBAF should not absorb light at wavelengths greater than 240nm, it is useful to monitor sensing reactions with visible spectroscopy. | | Definition | ChEBI: Tetrabutylammonium fluoride is a fluoride salt and a tetrabutylammonium salt. It has a role as a phase-transfer catalyst. | | Synthesis | Synthesis of TBAF; Anhydrous tetrabutylammonium fluoride (TBAF):; 0.67 g of tetrabutylammonium cyanide (TBACN) was dissolved in 2.5 ml of tetrahydrofuran (THF) and the resulting solution was cooled to -65 °C. In a separate vessel, 0.3 mL of hexafluorobenzene (C6F6) was dissolved in 0.5 mL of THF and cooled to -65°C. The hexafluorobenzene solution was slowly added to the cooled TBACN solution and the mixture was gradually warmed (over 4 hours) to -15°C. During the reaction, the solution changed from colorless to yellow-green and precipitated a white solid. The mixture was cooled again to -65 °C, the solid was collected by filtration and washed twice with cold THF. All separation operations need to be carried out below -36°C. The resulting white or light yellow TBAF solid can be stored in a refrigerator at -36°C for a short period of time. If the reaction mixture is used directly, the overall yield of TBAF exceeds 95% (based on TBACN, as verified by burst experiments with benzyl chloride). Isolated yields of the solid product ranged from 40% to 70%, depending on the efficiency of the washing and filtration steps.1H NMR ((CD3)2SO) δ 3.23 (8H, m), 1.56 (8H, m), 1.28 (8H, sextuple peak, J = 7.31 Hz), 0.86 (12H, t, J = 7.31 Hz); 19F NMR ((CD3)2SO) δ -72.6 ppm(s); 13C NMR ((CD3)2SO) δ 57.5, 23.1, 19.2, 13.5 ppm. | | References | [1] Patent: US2006/89514, 2006, A1. Location in patent: Page/Page column 5 |
| | Tetrabutylammonium Fluoride Preparation Products And Raw materials |
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