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| Other Sizes |
| Targets |
As a supporting electrolyte and phase transfer catalyst, tetrabutylammonium hexafluorophosphate does not have specific biological receptors as its primary targets. Its mechanism of action in electrochemical applications involves enhancing the conductivity of solutions by providing ions that facilitate electron transfer at electrodes. As a phase transfer catalyst, it facilitates the transfer of reactants between immiscible phases. The compound's hexafluorophosphate anion is a weakly coordinating counterion, which enhances the reactivity of the tetrabutylammonium cation in catalytic applications.
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| ln Vitro |
In vitro, tetrabutylammonium hexafluorophosphate is used as a supporting electrolyte for electrochemical applications and as a phase transfer catalyst in organic synthesis. It is used in the formation of cyclic disulfide moieties by S-S coupling of dithioanilides. The compound's ability to enhance solution conductivity makes it valuable for electrochemical and analytical chemistry research. Cellular assays are not typically performed with this compound as a direct cell-modulating agent, as its primary applications are in electrochemistry and organic synthesis.
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| ln Vivo |
In vivo data for tetrabutylammonium hexafluorophosphate is limited, as it is primarily a research reagent and electrolyte. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. As a quaternary ammonium salt with a fluorinated anion, it is expected to have limited oral bioavailability. Its primary applications are in electrochemistry and organic synthesis rather than as a therapeutic agent. Specific in vivo data for the parent compound is not available in the public literature.
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| Enzyme Assay |
In vitro assays for tetrabutylammonium hexafluorophosphate typically involve its use as a supporting electrolyte in electrochemical experiments. A standard protocol involves dissolving the compound in an appropriate solvent (e.g., acetonitrile, dichloromethane) at concentrations of 0.05-0.1 M. The solution is used as the electrolyte in electrochemical cells for cyclic voltammetry, chronoamperometry, or bulk electrolysis. The compound's purity and water content are critical for electrochemical performance. The compound's conductivity and electrochemical window are characterized using standard electrochemical techniques.
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| Cell Assay |
Cellular assays for tetrabutylammonium hexafluorophosphate are not standard, as the compound is primarily used as an electrolyte and catalyst rather than as a cell-modulating agent. The compound's quaternary ammonium structure suggests potential for membrane interactions and cytotoxicity at high concentrations. Any cellular studies would focus on evaluating the compound's cytotoxicity. A typical protocol would involve culturing appropriate cell lines in growth medium at 37°C with 5% CO₂. Cells would be treated with varying concentrations of the compound. Cell viability would be assessed using MTT or similar assays.
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| Animal Protocol |
In vivo animal studies for tetrabutylammonium hexafluorophosphate are not standard, as it is a research reagent and electrolyte rather than a therapeutic candidate. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would be limited to toxicological evaluations of the compound as an industrial chemical. The compound's quaternary ammonium and fluorinated anion structure suggests potential for toxicity. Specific in vivo protocols are not available in the public literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for tetrabutylammonium hexafluorophosphate is limited, as it is primarily a research reagent. The compound has a molecular weight of 387.43 g/mol and a molecular formula of C₁₆H₃₆F₆NP. It is a solid at room temperature and is hygroscopic, requiring storage under inert gas. As a quaternary ammonium salt, it is expected to have limited oral bioavailability and to be excreted primarily unchanged. The compound is soluble in organic solvents. Specific ADME data is not available.
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| Toxicity/Toxicokinetics |
Tetrabutylammonium hexafluorophosphate is classified for research use only and is not intended for human or veterinary applications. The compound is hygroscopic and should be stored under inert gas, protected from moisture. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available. As with all research chemicals, appropriate laboratory safety practices should be followed.
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| Additional Infomation |
Tetrabutylammonium hexafluorophosphate (TBAPF6, CAS 3109-63-5) is a biochemical reagent with the molecular formula C₁₆H₃₆F₆NP. It is a quaternary ammonium salt used as a supporting electrolyte in electrochemical applications and as a phase transfer catalyst in organic synthesis. The compound enhances solution conductivity and enables efficient electron transfer at electrodes. It is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes.
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| Molecular Formula |
C16H36F6NP
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|---|---|
| Molecular Weight |
387.43
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| Exact Mass |
387.249
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| CAS # |
3109-63-5
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| PubChem CID |
165075
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| Appearance |
Typically exists as solid at room temperature
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| Boiling Point |
242-246 °C
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| Melting Point |
244-246 °C(lit.)
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| LogP |
8.386
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
24
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| Complexity |
179
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCC[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F
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| InChi Key |
BKBKEFQIOUYLBC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H36N.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1
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| Chemical Name |
tetrabutylazanium;hexafluorophosphate
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5811 mL | 12.9056 mL | 25.8111 mL | |
| 5 mM | 0.5162 mL | 2.5811 mL | 5.1622 mL | |
| 10 mM | 0.2581 mL | 1.2906 mL | 2.5811 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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