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| Other Sizes |
| Targets |
4-Bromo-3-fluorobenzaldehyde does not have a defined biological target as it is a synthetic reagent rather than a pharmacologically active compound. Its function is chemical—it serves as a building block for the synthesis of more complex molecules. The aldehyde group provides a handle for condensation reactions, while the bromine and fluorine substituents enable cross-coupling and further functionalization. When incorporated into pharmaceutical compounds, the halogenated benzaldehyde scaffold can interact with biological targets through hydrophobic interactions, halogen bonding, and hydrogen bonding. The compound itself is not evaluated for biological activity against specific targets.
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| ln Vitro |
As a chemical reagent, 4-bromo-3-fluorobenzaldehyde exhibits no intrinsic pharmacological activity in vitro. Its utility is demonstrated in organic synthesis as a building block for the preparation of pharmaceuticals, agrochemicals, and other bioactive compounds. The aldehyde group enables condensation reactions with amines to form imines, with active methylene compounds to form α,β-unsaturated carbonyls, and with Grignard reagents to form alcohols. The bromine and fluorine substituents enable cross-coupling reactions. In cell-based assays, the compound itself is not tested for biological activity. Instead, the products synthesized from this reagent are evaluated for their pharmacological properties.
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| ln Vivo |
4-Bromo-3-fluorobenzaldehyde does not exhibit in vivo biological activity as it is not a therapeutic agent. The compound is used as a research reagent for organic synthesis. Any in vivo effects would be associated with the final products synthesized from this intermediate, not with the intermediate itself. The compound is not administered to animals in pharmacological studies and has no known physiological effects. Its role is strictly chemical—providing a versatile halogenated benzaldehyde scaffold for constructing complex molecules.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to 4-bromo-3-fluorobenzaldehyde as it is not a biologically active compound. Standard characterization protocols for this reagent include nuclear magnetic resonance (¹H NMR, ¹³C NMR, ¹⁹F NMR) and mass spectrometry to confirm structure and purity. Melting point determination and HPLC analysis are used for quality control. For synthetic applications, typical reactions include Suzuki-Miyaura coupling at the bromine position, reductive amination of the aldehyde, Knoevenagel condensation, and further functionalization of the aromatic ring. The resulting products are then evaluated for biological activity.
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| Cell Assay |
Cell-based experiments are not performed with 4-bromo-3-fluorobenzaldehyde itself, as it is a chemical reagent rather than a test compound for biological activity. When the compound is used to synthesize drug candidates, those products may be tested in cell culture using standard protocols. Typically, final compounds are dissolved in DMSO and diluted in culture medium to achieve desired concentrations (typically 0.1-100 µM). Cells are incubated for 24-72 hours, and effects on cell viability, proliferation, or specific signaling pathways are measured using appropriate assays. The intermediate itself is not evaluated in cellular systems.
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| Animal Protocol |
In vivo animal studies are not conducted with 4-bromo-3-fluorobenzaldehyde, as it is a research reagent for chemical synthesis. When the compound is used to synthesize drug candidates, those final products undergo standard preclinical evaluation. Typical protocols for drug candidates include pharmacokinetic studies in rodents (oral or intravenous administration, blood sampling for LC-MS/MS analysis), efficacy studies in disease models, and toxicology studies (acute and repeated-dose toxicity, histopathology). These studies evaluate the safety and efficacy of the final drug molecules, not the synthetic intermediate.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-bromo-3-fluorobenzaldehyde are not characterized as it is not a drug substance. Based on its physicochemical properties (molecular weight 203.01, logP approximately 2.5-3.0), the compound would be expected to have moderate to good oral bioavailability if administered. The aldehyde would likely be oxidized to the corresponding carboxylic acid or reduced to the alcohol, and the halogens may affect metabolism. However, the compound is not intended for human exposure and has not been evaluated in formal pharmacokinetic studies. For drug candidates synthesized from this intermediate, pharmacokinetic properties are determined as part of drug development.
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| Toxicity/Toxicokinetics |
4-Bromo-3-fluorobenzaldehyde may cause skin and eye irritation. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves, safety glasses, and working in a fume hood. The compound should be stored in a cool, dry place away from light and moisture. No acute toxicity data are available. The compound is not intended for drug, household, or other uses.
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| Additional Infomation |
4-Bromo-3-fluorobenzaldehyde is a versatile building block in organic synthesis for the preparation of pharmaceuticals and other bioactive compounds. The aldehyde, bromine, and fluorine substituents enable diverse chemical transformations. The compound has not undergone clinical trials and is not approved as a pharmaceutical. Its mechanism of action is chemical—serving as a precursor for the synthesis of biologically active halogenated benzaldehyde derivatives.
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| Molecular Formula |
C7H4BRFO
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|---|---|
| Molecular Weight |
203.01
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| Exact Mass |
201.942
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| CAS # |
133059-43-5
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| PubChem CID |
2783411
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
240.2±25.0 °C at 760 mmHg
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| Melting Point |
55-59℃
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| Flash Point |
99.1±23.2 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.585
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| LogP |
2.74
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
10
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| Complexity |
129
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(C=C1C=O)F)Br
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| InChi Key |
SWHUROFMIMHWKS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H4BrFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
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| Chemical Name |
4-bromo-3-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: 150 mg/mL (738.88 mM)
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|---|---|
| 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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