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| Targets |
Benzyltrimethylammonium tetrachloroiodate does not have a defined pharmacological target as it is a chemical reagent. The compound functions as a source of a positively charged chlorine ion (chloronium, Cl⁺) and iodine(III) species, enabling it to chlorinate activated aromatic compounds, convert carbonyl compounds to α-chlorinated derivatives, and oxidize various functional groups under mild conditions. Its unique chemical properties make it an important ingredient in a variety of industrial processes such as pharmaceuticals and agrochemicals.
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| ln Vitro |
A biochemical reagent called benzotrimethylammonium tetrachloroiodate can be utilized in life science research as an organic compound or biological material.
No specific in vitro pharmacological activity data are available for Benzyltrimethylammonium tetrachloroiodate as it is a chemical reagent. In research settings, the compound is used as a chlorinating reagent and oxidizing agent in organic synthesis. Its activity is assessed in terms of chlorination efficiency, oxidation capability, and synthetic utility rather than biological activity. The compound is used in the oxidation of alkenes and alcohols. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for Benzyltrimethylammonium tetrachloroiodate as a therapeutic agent. The compound is used exclusively as a chemical reagent in organic synthesis. It is not administered to animals for pharmacological evaluation. Its applications are limited to organic chemistry and pharmaceutical research laboratories.
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| Enzyme Assay |
For non-cellular assays, Benzyltrimethylammonium tetrachloroiodate is characterized by standard analytical techniques including NMR, HPLC, and elemental analysis to confirm identity and purity. The compound has a molecular weight of 418.95 and molecular formula C₁₀H₁₆Cl₄IN. Storage: room temperature in a cool and dark place (<15°C). Condition to avoid: light sensitive. Typical protocols involve using the compound as a chlorinating reagent.
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| Cell Assay |
For in vitro cell-based studies, Benzyltrimethylammonium tetrachloroiodate is not typically used as a direct test compound. It is a chemical reagent for synthetic chemistry applications. If handled in a biological laboratory context, appropriate safety precautions should be taken due to the iodine content and potential reactivity. The compound should be stored in a cool, dry place protected from light.
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| Animal Protocol |
For in vivo animal studies, Benzyltrimethylammonium tetrachloroiodate is not typically administered as a test compound. It is used as a chemical reagent in organic synthesis. If used in toxicological studies, it would be administered via appropriate routes with suitable formulations. Standard animal welfare guidelines should be followed.
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| ADME/Pharmacokinetics |
Benzyltrimethylammonium tetrachloroiodate has a molecular weight of 418.95 and molecular formula C₁₀H₁₆Cl₄IN. It appears as a light yellow to brown powder to crystal. Storage: room temperature in a cool and dark place (<15°C). Condition to avoid: light sensitive. The compound is a quaternary ammonium salt belonging to the alkylammonium salts class.
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| Toxicity/Toxicokinetics |
The compound is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. The compound is light sensitive and should be protected from light during storage and handling. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD₅₀ values and detailed toxicological profiles have not been extensively reported.
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| Additional Infomation |
Benzyltrimethylammonium tetrachloroiodate (CAS 121309-88-4) is also known as benzyltrimethylammonium tetrachloroiodate [chlorinating reagent]. It is a versatile and stable reagent belonging to the class of polyvalent iodine compounds. The compound functions as a source of chloronium (Cl⁺) and iodine(III) species, enabling chlorination of activated aromatic compounds and oxidation of various functional groups. It is used as a reagent in organic synthesis, especially in the oxidation of alkenes and alcohols. No clinical trials or therapeutic approvals exist.
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| Molecular Formula |
C10H16CL4IN
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| Molecular Weight |
418.96
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| Exact Mass |
416.908
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| CAS # |
121309-88-4
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| PubChem CID |
11122622
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| Appearance |
Light yellow to yellow solid powder
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| Melting Point |
135 °C(dec.)
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| LogP |
1.654
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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 |
16
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| Complexity |
126
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C[N+](C)(C)CC1=CC=CC=C1.Cl[I-](Cl)(Cl)Cl
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| InChi Key |
IBXYFQYYVRYALP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H16N.Cl4I/c1-11(2,3)9-10-7-5-4-6-8-10;1-5(2,3)4/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, avoid exposure to moisture. |
| 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 | 2.3869 mL | 11.9343 mL | 23.8686 mL | |
| 5 mM | 0.4774 mL | 2.3869 mL | 4.7737 mL | |
| 10 mM | 0.2387 mL | 1.1934 mL | 2.3869 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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