| Size | Price | Stock | Qty |
|---|---|---|---|
| 250g |
|
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| Other Sizes |
| Targets |
2-Fluoro-5-bromobenzaldehyde does not have a defined pharmacological target of its own, as it is a synthetic intermediate. As a halogenated benzaldehyde, it serves as a building block for the synthesis of various biologically active compounds. The bromine and fluorine atoms provide handles for cross-coupling reactions, while the aldehyde group enables further derivatization.
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|---|---|
| ln Vitro |
In vitro, 2-fluoro-5-bromobenzaldehyde is primarily used as a chemical reagent and synthetic intermediate. As a halogenated benzaldehyde, it is a common building block for the construction of drug-like molecules through cross-coupling reactions and other synthetic transformations.
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| ln Vivo |
In vivo activity data for 2-fluoro-5-bromobenzaldehyde itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor used in the synthesis of drug candidates that are subsequently evaluated in animal models.
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| Enzyme Assay |
For in vitro chemical synthesis, 2-fluoro-5-bromobenzaldehyde is used as a building block. The bromine atom provides a handle for cross-coupling reactions such as Suzuki-Miyaura couplings. The aldehyde group can undergo reductive amination, condensation, and oxidation reactions. Standard protocols involve reacting the compound with appropriate reagents under controlled conditions.
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| Cell Assay |
For in vitro cell-based experiments, 2-fluoro-5-bromobenzaldehyde is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO.
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| Animal Protocol |
In vivo animal studies using 2-fluoro-5-bromobenzaldehyde are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For pharmaceutical candidates derived from this building block, efficacy studies would typically be performed in mouse models of the relevant disease.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2-fluoro-5-bromobenzaldehyde as a standalone compound are not characterized in the literature. The compound is a solid and should be stored under appropriate conditions.
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| Toxicity/Toxicokinetics |
2-Fluoro-5-bromobenzaldehyde is a research chemical and should be handled with appropriate laboratory safety precautions. As a halogenated aldehyde, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications.
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| Additional Infomation |
2-Fluoro-5-bromobenzaldehyde (5-Bromo-2-fluoro-benzaldehyde, CAS 93777-26-5) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a building block for organic synthesis and as a biochemical reagent for biomedical research.
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| Molecular Formula |
C7H4BRFO
|
|---|---|
| Molecular Weight |
203.01
|
| Exact Mass |
201.942
|
| CAS # |
93777-26-5
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| PubChem CID |
736327
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| Appearance |
Colorless to light yellow <58°C powder,>62°C liquid
|
| Density |
1.7±0.1 g/cm3
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| Boiling Point |
232.1±20.0 °C at 760 mmHg
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| Melting Point |
58-62°C
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| Flash Point |
94.2±21.8 °C
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| Vapour Pressure |
0.1±0.5 mmHg at 25°C
|
| Index of Refraction |
1.585
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| LogP |
2.6
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
10
|
| Complexity |
129
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=CC1C(F)=CC=C(Br)C=1
|
| InChi Key |
MMFGGDVQLQQQRX-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H4BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
|
| Chemical Name |
5-bromo-2-fluorobenzaldehyde
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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. |
| 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 (492.59 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.31 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 (12.31 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (12.31 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.9259 mL | 24.6293 mL | 49.2587 mL | |
| 5 mM | 0.9852 mL | 4.9259 mL | 9.8517 mL | |
| 10 mM | 0.4926 mL | 2.4629 mL | 4.9259 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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