| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg | |||
| Other Sizes |
| Targets |
Bromodichloroacetonitrile does not have specific pharmacological targets, as it is a disinfection by-product studied in environmental chemistry rather than a therapeutic agent. Its mechanism of action involves interaction with biological molecules, forming adducts with proteins and DNA, leading to potential mutagenic and carcinogenic effects. The compound is used to study the toxicity of disinfection by-products.
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| ln Vitro |
Bromodichloroacetonitrile is not evaluated for traditional biological activity as a therapeutic compound. It is a disinfection by-product studied for its toxicity and environmental impact. The compound can form adducts with proteins and DNA, potentially leading to mutagenic and carcinogenic effects. No therapeutic applications have been identified.
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| ln Vivo |
Bromodichloroacetonitrile is not used for in vivo pharmacological evaluation. It is a disinfection by-product studied in environmental chemistry research. The compound is not administered to animals for therapeutic purposes. Its applications are limited to environmental and toxicological research.
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| Enzyme Assay |
In vitro assays for Bromodichloroacetonitrile typically involve evaluation of its toxicity and mutagenicity. The compound can be tested in bacterial mutagenicity assays such as the Ames test. DNA adduct formation can be assessed using mass spectrometry or other analytical methods. Cytotoxicity can be evaluated in mammalian cell lines using MTT or similar assays. The compound's purity is confirmed by HPLC.
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| Cell Assay |
In vitro cellular assays for Bromodichloroacetonitrile typically involve evaluation of cytotoxicity and genotoxicity in mammalian cell lines. Cells are treated with the compound and cell viability is assessed using MTT or similar assays. DNA damage can be assessed using comet assays or micronucleus tests. The compound is a nitrogen-containing disinfection by-product.
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| Animal Protocol |
In vivo animal experiments for Bromodichloroacetonitrile may be conducted for toxicological risk assessment. The compound is a disinfection by-product found in drinking water. Toxicological studies would involve oral administration to rodents to evaluate acute toxicity, genotoxicity, and carcinogenicity. However, specific study protocols are not detailed in the available literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Bromodichloroacetonitrile are characteristic of small halogenated nitriles. The compound has a molecular weight of 188.84 g/mol and a molecular formula of C₂BrCl₂N. As a volatile halogenated compound, it is expected to be absorbed through inhalation and ingestion. Storage: 20°C.
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| Toxicity/Toxicokinetics |
The toxicological profile of Bromodichloroacetonitrile is of concern as it is a disinfection by-product with potential mutagenic and carcinogenic effects. The compound can form adducts with proteins and DNA. It is used in environmental chemistry research to study DBP formation, stability, and toxicity. Standard safety precautions should be followed.
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| References |
[1]. Xiaoya Liu, et al. Research status in quo of disinfection by-products formation from algal organic matter as precursors. Disinfection By-products in Drinking Water Detection and Treatment. 2020, Pages 137-168.
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| Additional Infomation |
Bromodichloroacetonitrile (CAS# 60523-73-1, molecular formula C₂BrCl₂N, molecular weight 188.84) is a nitrogen-containing disinfection by-product formed during water chlorination. It can form adducts with proteins and DNA. Used in environmental chemistry research. No clinical trials or regulatory approvals have been identified.
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| Molecular Formula |
C2BRCL2N
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|---|---|
| Molecular Weight |
188.84
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| Exact Mass |
186.859
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| CAS # |
60523-73-1
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| PubChem CID |
572726
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| Appearance |
Typically exists as solid at room temperature
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| Density |
2.076g/cm3
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| Boiling Point |
108.7ºC at 760 mmHg
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| Flash Point |
19.5ºC
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| Index of Refraction |
1.542
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| LogP |
2.036
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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 |
0
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| Heavy Atom Count |
6
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| Complexity |
91
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC(Cl)(Cl)C#N
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| InChi Key |
XDJVVCPVQOCPJI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C2BrCl2N/c3-2(4,5)1-6
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| Chemical Name |
2-bromo-2,2-dichloroacetonitrile
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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 | 5.2955 mL | 26.4774 mL | 52.9549 mL | |
| 5 mM | 1.0591 mL | 5.2955 mL | 10.5910 mL | |
| 10 mM | 0.5295 mL | 2.6477 mL | 5.2955 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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