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| Other Sizes |
| Targets |
Benzyltrimethylammonium dichloroiodide is a catalyst and surfactant that does not have specific biological receptors as its primary targets. Its mechanism of action in catalysis involves acting as a phase transfer catalyst or facilitating specific organic transformations through its quaternary ammonium and dichloroiodide functionalities. The compound's surfactant properties allow it to reduce surface tension and stabilize emulsions. Its primary applications are as a catalyst in organic synthesis, as a surfactant, and as a cleaning agent.
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| ln Vitro |
A biochemical reagent called benzotrimethylammonium dichloroiodide can be utilized in life science research as an organic compound or biological material.
In vitro, benzyltrimethylammonium dichloroiodide is used as a biochemical reagent and organic compound for biomedical research. It is extensively used as a catalyst and surfactant. It can play a catalytic role in certain organic synthesis reactions and could be utilized as a cleaning agent, lubricant, and emulsifier. Cellular assays are not typically performed with this compound as a direct cell-modulating agent, as its primary applications are in catalysis and formulation science. |
| ln Vivo |
In vivo data for benzyltrimethylammonium dichloroiodide is limited, as it is primarily a research reagent and catalyst. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. Its primary applications are as a catalyst and surfactant in organic synthesis and formulation. Specific in vivo data for the parent compound is not available in the public literature. The compound is not a therapeutic candidate.
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| Enzyme Assay |
In vitro assays for benzyltrimethylammonium dichloroiodide typically involve its use as a catalyst in organic synthesis. A typical application involves using the compound in oxidation or halogenation reactions. The compound is dissolved in organic solvents such as dichloromethane or acetonitrile. Reaction progress is monitored by TLC, GC, or HPLC. Catalyst activity and selectivity are evaluated by product yield and purity. The compound's surfactant properties can be evaluated by measuring surface tension or emulsification efficiency.
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| Cell Assay |
Cellular assays for benzyltrimethylammonium dichloroiodide are not standard, as the compound is primarily used as a catalyst and surfactant 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 benzyltrimethylammonium dichloroiodide are not standard, as it is a research reagent and catalyst 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 halogenated 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 benzyltrimethylammonium dichloroiodide is limited, as it is primarily a research reagent. The compound has a molecular weight of 348.05 g/mol and a molecular formula of C₁₀H₁₆Cl₂IN. It is a solid at room temperature with a melting point of 126.0-128.0°C. As a quaternary ammonium salt, it is expected to have limited oral bioavailability. Specific ADME data is not available. The compound is stored in a dry, cool place.
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| Toxicity/Toxicokinetics |
Benzyltrimethylammonium dichloroiodide is classified for research use only and is not intended for human or veterinary applications. 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 in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values are available in the public domain.
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| Additional Infomation |
Benzyltrimethylammonium dichloroiodide (Trimethylbenzylammonium dichloroiodide, CAS 114971-52-7) is a biochemical reagent with the molecular formula C₁₀H₁₆Cl₂IN. It is extensively used as a catalyst and surfactant in organic synthesis reactions and can be utilized as a cleaning agent, lubricant, and emulsifier. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes.
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| Molecular Formula |
C10H16CL2IN
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|---|---|
| Molecular Weight |
348.05
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| Exact Mass |
346.97
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| CAS # |
114971-52-7
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| PubChem CID |
2724680
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| Appearance |
Light yellow to yellow solid powder
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| Melting Point |
124-126 °C(lit.)
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| LogP |
0.275
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
14
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| Complexity |
109
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[I-](Cl)Cl.[N+](C([H])([H])[H])(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]
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| InChi Key |
PPDJNZTUDFPAHX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H16N.Cl2I/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-2/h4-8H,9H2,1-3H3;/q+1;-1
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (287.32 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.18 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.18 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8732 mL | 14.3658 mL | 28.7315 mL | |
| 5 mM | 0.5746 mL | 2.8732 mL | 5.7463 mL | |
| 10 mM | 0.2873 mL | 1.4366 mL | 2.8732 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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