| Size | Price | |
|---|---|---|
| Other Sizes |
Purity: ≥98%
| Targets |
As a quaternary ammonium salt, it functions as a phase-transfer catalyst and iodide ion source in chemical reactions . In materials science applications, TBAI serves as a carrier of iodide/triiodide ions for the synthesis of photovoltaic materials, organic conductors, and superconductors . A related compound, Tetrabutylammonium triiodide (TBAI₃), exhibits antimicrobial properties attributed to its ability to release triiodide ions that participate in oxidative reactions .
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|---|---|
| ln Vitro |
TBAI has been reported as a catalyst in the synthesis of 2-thioxoimidazolidine-4,5-dione derivatives at room temperature using an environment-friendly protocol. The synthesized compounds were subsequently studied for apoptosis induction in cancer cell lines including HCT-15 (colon cancer), U87-MG (brain cancer), and HeLa (cervical cancer) cells through in silico and in vitro approaches . Note: The biological activity is attributed to the synthesized derivatives, not directly to TBAI itself. In NMR-based binding studies, TBAI was used as a soluble iodide source in CDCl₃ to investigate anion recognition by macrocyclic receptors at a fixed concentration of 8.7 mM .
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| Enzyme Assay |
NMR-based anion binding assay: ¹H NMR titrations were conducted at a fixed receptor concentration of 8.7 mM in CDCl₃. TBAI was added to the receptor solution (up to 2 equivalents), and chemical shift changes of NH and aromatic proton signals were monitored to confirm anion-receptor interactions .
UV-vis absorption spectroscopy: Used in conjunction with NMR titration to study the interaction between macrocyclic receptors and iodide ions from TBAI in CDCl₃ solution . Fluorescence spectroscopy: Employed as an additional method to characterize binding interactions between receptors and iodide ions provided by TBAI . |
| Toxicity/Toxicokinetics |
The compound is a quaternary ammonium salt and chemical reagent. Multiple suppliers explicitly state that the product is "for research use only, not for human use" . The related compound tetrabutylammonium triiodide (TBAI₃) has been explored for antimicrobial properties, but comprehensive toxicological profiles are not provided .
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| Additional Infomation |
Physical properties: Molecular formula C₁₆H₃₆IN, molecular weight 369.37 g/mol. Melting point: phase transition from ordered phase I to rotational disordered phase II at 391 K (approximately 118°C), melting point at 420 K (approximately 147°C) . Ionic conductivity measured at 2.6 × 10⁻⁶ S/cm at 393 K (approximately 120°C) .
Solubility: Soluble in DMSO (100 mg/mL, 270.73 mM) with sonication assistance. Also soluble in CDCl₃ and various organic solvents . Storage conditions: Keep in dark place, inert atmosphere, room temperature for pure form; in solvent at -20°C for 3-6 months or -80°C for 12 months . Ionic transport properties: Unusual ionic transport in TBAI has been observed by high-resolution proton NMR spectroscopy accompanied by diffusion experiments. Some TBA cations diffuse not only in the plastic phase II but also in the low-temperature ordered phase I. The observed ionic conductivity suggests that only a fraction of the cations participate in the conductivity . |
| Molecular Formula |
C16H36IN
|
|---|---|
| Molecular Weight |
369.368217468262
|
| Exact Mass |
369.189
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| CAS # |
311-28-4
|
| Related CAS # |
10549-76-5 (Parent)
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| PubChem CID |
67553
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| Appearance |
Off-white to light yellow solid powder
|
| Density |
1.20
|
| Melting Point |
141-143 °C(lit.)
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| Flash Point |
100ºC
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| LogP |
2.007
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
12
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| Heavy Atom Count |
18
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| Complexity |
116
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
[I-].[N+](CCCC)(CCCC)(CCCC)CCCC
|
| InChi Key |
DPKBAXPHAYBPRL-UHFFFAOYSA-M
|
| InChi Code |
InChI=1S/C16H36N.HI/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
|
| Chemical Name |
tetrabutylazanium;iodide
|
| 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
DMSO: 100 mg/mL (270.73 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.77 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.77 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7073 mL | 13.5366 mL | 27.0731 mL | |
| 5 mM | 0.5415 mL | 2.7073 mL | 5.4146 mL | |
| 10 mM | 0.2707 mL | 1.3537 mL | 2.7073 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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