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| Other Sizes |
| Targets |
5-Bromo-2-thiophenecarboxylic acid does not have a defined pharmacological target as it is a synthetic intermediate and building block. The compound is a good substrate for Suzuki coupling reactions, which are commonly used to synthesize pharmaceuticals. It is used in the preparation of 5-bromo-2-thiophenecarboxylic acid butyl ester and sulphonyl-tetrafluorophenyl (STP) esters. The compound is also photophysical, meaning it absorbs light at specific wavelengths.
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| ln Vitro |
No direct in vitro pharmacological activity data are available for 5-Bromo-2-thiophenecarboxylic acid as it is a synthetic intermediate. In research settings, the compound is used as a building block for synthesizing libraries of thiophene-based compounds that are subsequently screened for biological activity. Its activity is assessed in terms of synthetic utility and reactivity rather than direct biological activity. The compound has genotoxicity activity.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 5-Bromo-2-thiophenecarboxylic acid as it is not a therapeutic agent. The compound is used in chemical synthesis and is not administered directly to animals. Its derivatives and the compounds synthesized from it may be evaluated in animal models depending on the therapeutic area. The compound is handled in chemistry laboratories for organic synthesis applications.
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| Enzyme Assay |
For non-cellular assays, 5-Bromo-2-thiophenecarboxylic acid is characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity and purity. The compound can be evaluated as a substrate in Suzuki-Miyaura cross-coupling reactions. Typical protocols involve reacting the bromothiophene with boronic acids in the presence of a palladium catalyst and base. Reaction progress is monitored by TLC or HPLC. Purity: ≥97%. Molecular weight: 207.05.
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| Cell Assay |
For in vitro cell-based studies, 5-Bromo-2-thiophenecarboxylic acid is not typically used as a direct test compound. The compound is used as a building block for synthesizing biologically active molecules that are subsequently tested in cell-based assays. If handled in a biological laboratory context, standard safety precautions should be taken. The compound should be stored in a cool, dry place protected from light and moisture.
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| Animal Protocol |
For in vivo animal studies, 5-Bromo-2-thiophenecarboxylic acid can be formulated using standard injection vehicles. The compound is a solid at room temperature. Dosing solutions should be freshly prepared and administered according to specific protocols with appropriate control groups. Standard handling procedures for brominated thiophenes should be followed.
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| ADME/Pharmacokinetics |
5-Bromo-2-thiophenecarboxylic acid has a molecular weight of 207.05 and molecular formula C5H3BrO2S. Purity: ≥97%. Storage: keep in a cool, dry place protected from light and moisture. The compound is a solid at room temperature. Solubility: soluble in common organic solvents. The compound is stable under recommended storage conditions.
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| Toxicity/Toxicokinetics |
5-Bromo-2-thiophenecarboxylic acid is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Brominated compounds should be handled with care. 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 |
5-Bromo-2-thiophenecarboxylic acid (CAS 7311-63-9) is also known as 5-bromothiophene-2-carboxylic acid. It is a heterocyclic building block widely recognized as a versatile intermediate in organic synthesis, particularly as a key starting material for Suzuki-Miyaura cross-coupling reactions to construct more complex thiophene-based pharmaceuticals and agrochemicals. It has genotoxicity activity. No clinical trials or therapeutic approvals exist.
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| Molecular Formula |
C5H3BRO2S
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|---|---|
| Molecular Weight |
207.05
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| Exact Mass |
205.903
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| CAS # |
7311-63-9
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| PubChem CID |
349115
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| Appearance |
White to light yellow solid powder
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| Density |
1.9±0.1 g/cm3
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| Boiling Point |
318.9±27.0 °C at 760 mmHg
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| Melting Point |
140 °C
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| Flash Point |
146.7±23.7 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.650
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| LogP |
2.47
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
9
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| Complexity |
128
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C1=CC=C(Br)S1)O
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| InChi Key |
COWZPSUDTMGBAT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H3BrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
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| Chemical Name |
5-bromothiophene-2-carboxylic acid
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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: 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) |
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 | 4.8298 mL | 24.1488 mL | 48.2975 mL | |
| 5 mM | 0.9660 mL | 4.8298 mL | 9.6595 mL | |
| 10 mM | 0.4830 mL | 2.4149 mL | 4.8298 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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