| Size | Price | Stock | Qty |
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| 50g |
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| 100g |
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| Other Sizes |
| Targets |
4,7-Dibromo-2,1,3-benzothiadiazole does not have a defined pharmacological target. It is a building block for the synthesis of high-performance optoelectronic devices and for the construction of OLEDs. The compound's unique properties make it valuable for materials science applications. The bromine atoms provide handles for cross-coupling reactions to introduce various substituents for tuning optoelectronic properties.
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| ln Vitro |
In vitro, 4,7-dibromo-2,1,3-benzothiadiazole is primarily used as a chemical reagent and synthetic intermediate. It serves as a building block for the synthesis of high-performance optoelectronic devices and for the construction of OLEDs. As a dibrominated benzothiadiazole, it is a valuable building block for conjugated polymers and small molecules for organic electronics.
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| ln Vivo |
In vivo activity data for 4,7-dibromo-2,1,3-benzothiadiazole are not available, as the compound is a building block for materials science applications. It is not intended for in vivo administration and has no established in vivo pharmacokinetic or pharmacodynamic profile. The compound is not designed for therapeutic use.
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| Enzyme Assay |
For in vitro chemical synthesis, 4,7-dibromo-2,1,3-benzothiadiazole is used as a building block for the preparation of conjugated polymers and small molecules. The bromine atoms provide handles for cross-coupling reactions such as Suzuki-Miyaura and Stille couplings with organotin or boronic acid reagents. The resulting polymers and molecules are characterized by UV-Vis spectroscopy, cyclic voltammetry, and other techniques to assess their optoelectronic properties.
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| Cell Assay |
For in vitro cell-based experiments, 4,7-dibromo-2,1,3-benzothiadiazole is not typically used directly in cell culture. It is a chemical reagent used for materials science and organic synthesis. The compound may be used in the synthesis of materials that are subsequently tested in biological applications, but it is not added directly to cell cultures as a test compound.
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| Animal Protocol |
In vivo animal studies for 4,7-dibromo-2,1,3-benzothiadiazole are not applicable, as the compound is a building block for materials science applications. No animal studies have been conducted for this compound as a therapeutic agent, and it is not intended for diagnostic or therapeutic use in animals or humans.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 4,7-dibromo-2,1,3-benzothiadiazole are not available, as the compound is not a drug and is not administered to living organisms. The compound has a molecular weight of 293.96 g/mol. As a halogenated heterocycle, it would be expected to have limited water solubility and potential for bioaccumulation. The compound is primarily used as a reagent rather than as a drug candidate.
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| Toxicity/Toxicokinetics |
4,7-Dibromo-2,1,3-benzothiadiazole is a research chemical and should be handled with appropriate laboratory safety precautions. As a brominated compound, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
Structure in the first source
4,7-Dibromo-2,1,3-benzothiadiazole (CAS 15155-41-6) is primarily a research-grade chemical intermediate and building block, not an FDA-approved pharmaceutical drug. Its primary applications are as a building block for the synthesis of high-performance optoelectronic devices and OLEDs. No clinical trials or approved therapeutic indications exist for this compound. |
| Molecular Formula |
C6H2BR2N2S
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|---|---|
| Molecular Weight |
293.97
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| Exact Mass |
291.83
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| CAS # |
15155-41-6
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| PubChem CID |
626361
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| Appearance |
Light yellow to brown solid powder
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| Density |
2.2±0.1 g/cm3
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| Boiling Point |
326.6±22.0 °C at 760 mmHg
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| Melting Point |
186-190ºC
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| Flash Point |
151.3±22.3 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.756
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| LogP |
3.55
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
11
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| Complexity |
142
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=C(C2=NSN=C2C(=C1)Br)Br
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| InChi Key |
FEOWHLLJXAECMU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
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| Chemical Name |
4,7-dibromo-2,1,3-benzothiadiazole
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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) |
DMSO: 25 mg/mL (85.04 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.50 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 | 3.4017 mL | 17.0085 mL | 34.0171 mL | |
| 5 mM | 0.6803 mL | 3.4017 mL | 6.8034 mL | |
| 10 mM | 0.3402 mL | 1.7009 mL | 3.4017 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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