| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
4-Bromobenzaldehyde does not have a defined pharmacological target of its own, as it is primarily a synthetic intermediate. It serves as a key building block in the synthesis of complex organic molecules, bioactive compounds, and specialty chemicals. It is used as a precursor to prepare Schiff's bases and plays a role in palladium-catalyzed arylation reactions.
|
|---|---|
| ln Vitro |
4-Bromobenzaldehyde is a common intermediate used in the manufacturing of medicines, agrochemicals, and other organic molecules. Schiff base, 4-[(4-Bromo-benzylidene)-amino]-N-(5-methyl-isoxazol-3-yl)-benzene sulfonamide, is prepared by reacting with sulfamethoxazole as a precursor. This compound can be employed with light stability polyvinyl chloride (PVC). It is crucial to the 3,4-(ethylenedioxy)thiophene monoarylation and biarylation processes that are catalyzed by palladium. In cross-coupling experiments with potassium vinyl trifluoroborate, it was employed.
In vitro, 4-bromobenzaldehyde is used as a chemical reagent and synthetic intermediate. It is employed in cross-coupling studies with potassium vinyltrifluoroborate. As a building block, its reactivity allows it to participate in various chemical reactions, making it valuable for the synthesis of compounds with potential biological activities. |
| ln Vivo |
In vivo activity data for 4-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.
|
| Enzyme Assay |
For in vitro chemical synthesis, 4-bromobenzaldehyde is used as a building block. Standard protocols involve reacting the compound with appropriate reagents under controlled conditions, such as in palladium-catalyzed coupling reactions or in the formation of Schiff bases.
|
| Cell Assay |
For in vitro cell-based experiments, 4-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.
|
| Animal Protocol |
In vivo animal studies using 4-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.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-bromobenzaldehyde as a standalone compound are not characterized in the literature. The compound is soluble in ethanol and benzene, but insoluble in water. It should be kept in a tightly closed container in a dry and well-ventilated place.
|
| Toxicity/Toxicokinetics |
4-Bromobenzaldehyde is a research chemical and should be handled with appropriate laboratory safety precautions. It is incompatible with strong bases, strong oxidizing agents, and strong reducing agents. Standard safety practices include the use of personal protective equipment and working in a fume hood.
|
| Additional Infomation |
4-Bromobenzaldehyde (CAS 1122-91-4) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as an intermediate in the preparation of agrochemicals, pharmaceuticals, and other organic compounds.
|
| Molecular Formula |
C7H5BRO
|
|---|---|
| Molecular Weight |
185.02
|
| Exact Mass |
183.952
|
| CAS # |
1122-91-4
|
| Related CAS # |
4-Bromobenzaldehyde-13C6;1037620-59-9
|
| PubChem CID |
70741
|
| Appearance |
White to off-white solid powder
|
| Density |
1.6±0.1 g/cm3
|
| Boiling Point |
244.0±23.0 °C at 760 mmHg
|
| Melting Point |
55-58 °C(lit.)
|
| Flash Point |
108.9±0.0 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.611
|
| LogP |
2.57
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
9
|
| Complexity |
95.1
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC(=CC=C1C=O)Br
|
| InChi Key |
ZRYZBQLXDKPBDU-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H
|
| Chemical Name |
4-bromobenzaldehyde
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~540.5 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (27.02 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 5 mg/mL (27.02 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 DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 5 mg/mL (27.02 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 DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.4048 mL | 27.0241 mL | 54.0482 mL | |
| 5 mM | 1.0810 mL | 5.4048 mL | 10.8096 mL | |
| 10 mM | 0.5405 mL | 2.7024 mL | 5.4048 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
