| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
This compound does not have a specific biological target; it is a chemical building block. Its primary use is as a synthetic intermediate. The amino group can undergo acylation or diazotization, while the aldehyde group is reactive in condensation reactions, such as the formation of imines. It is used in medicinal chemistry as a building block.
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|---|---|
| ln Vitro |
This compound is not a biological agent and does not have in vitro activity. Its "activity" is chemical. It is used to synthesize monoazo dyes and photocurable ion exchange resins. It can also be utilized to create polymers with conductivity and corrosion resistance properties.
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| ln Vivo |
This compound is not used in in vivo studies as a therapeutic agent. It is a research chemical used as an intermediate in the synthesis of other compounds, including potential pharmaceuticals. The final product, not the aldehyde, would be tested.
|
| Enzyme Assay |
Non-cellular assays are not applicable. Its utility is in organic synthesis. A typical protocol involves using this compound as a starting material in a condensation reaction (e.g., with an amine to form an imine, or in a Knoevenagel condensation) or in diazotization reactions to synthesize azo compounds.
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| Cell Assay |
This compound is not used in cell-based assays. Its applications are in synthetic chemistry. It is prone to polymerization and should be stored appropriately. It is used as a building block to synthesize compounds that may later be tested in cells.
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| Animal Protocol |
In vivo animal experiments do not involve this compound as a test article. It is a chemical intermediate. If used to synthesize a drug candidate, that candidate would be tested in animals. The aldehyde itself is not administered.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable as this is not a drug. It is a small molecule (MW 121.14) that is a solid at room temperature. It is sensitive to air and prone to polymerization. Its properties are relevant for chemical handling and storage.
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| Toxicity/Toxicokinetics |
The toxicity of 4-Aminobenzaldehyde is not extensively documented. As an aromatic amine and aldehyde, it should be handled with caution. It may be harmful if swallowed, inhaled, or absorbed through skin. Standard laboratory safety practices should be followed. It is not intended for human or veterinary use.
|
| References | |
| Additional Infomation |
p-Aminobenzaldehyde is a member of the benzaldehyde family. It has been reported that 4-aminobenzaldehyde has been found in both spider lilies and eggplants, and relevant data is available for reference.
4-Aminobenzaldehyde is a versatile building block in organic synthesis, used in the production of dyes, polymers, and pharmaceuticals. Its dual functionality (amine and aldehyde) makes it a valuable intermediate for constructing heterocyclic compounds and other complex molecules. It is not a pharmaceutical and has no clinical trials or approved therapeutic status. |
| Molecular Formula |
C7H7NO
|
|---|---|
| Molecular Weight |
121.14
|
| Exact Mass |
121.052
|
| CAS # |
556-18-3
|
| PubChem CID |
11158
|
| Appearance |
Light yellow to yellow solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
278.1±23.0 °C at 760 mmHg
|
| Melting Point |
77-79°C
|
| Flash Point |
122.0±22.6 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.640
|
| LogP |
0.91
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
9
|
| Complexity |
95.1
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC(=CC=C1C=O)N
|
| InChi Key |
VATYWCRQDJIRAI-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2
|
| Chemical Name |
4-aminobenzaldehyde
|
| 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). 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: < 1 mg/mL
|
|---|---|
| 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 | 8.2549 mL | 41.2746 mL | 82.5491 mL | |
| 5 mM | 1.6510 mL | 8.2549 mL | 16.5098 mL | |
| 10 mM | 0.8255 mL | 4.1275 mL | 8.2549 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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