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| Other Sizes |
| Targets |
5-Fluorosalicylaldehyde does not have a defined pharmacological target as it is a synthetic intermediate and building block. The compound serves as a key intermediate in the synthesis of various pharmaceutical agents, particularly those targeting neurological disorders. It is used in the manufacture of dyes, pharmaceuticals, and agrochemicals. The compound is also thought to have anti-inflammatory properties because it can inhibit kinase activity and may inhibit the production of inflammatory cytokines such as IL1β, IL6, and TNFα.
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| ln Vitro |
No direct in vitro pharmacological activity data are available for 5-Fluorosalicylaldehyde as it is a synthetic intermediate. In research settings, the compound is used as a building block for synthesizing libraries of fluorinated 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 is used in the preparation of complex molecules, including ligands for metal complexes.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 5-Fluorosalicylaldehyde 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-Fluorosalicylaldehyde 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 various organic reactions including condensation, oxidation, and coupling reactions. Typical protocols involve dissolving the compound in appropriate solvents and analyzing reaction products by chromatographic methods. Purity: ≥98% to ≥99.8%【40†36】. Molecular weight: 140.11.
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| Cell Assay |
For in vitro cell-based studies, 5-Fluorosalicylaldehyde 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-Fluorosalicylaldehyde 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 fluorinated compounds and aldehydes should be followed.
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| ADME/Pharmacokinetics |
5-Fluorosalicylaldehyde has a molecular weight of 140.11 and molecular formula C7H5FO2. Purity: ≥98% to ≥99.8%【40†36】. Storage: keep in a cool, dry place protected from light and moisture. The compound is a light brown to yellow solid. Solubility: soluble in common organic solvents. The compound is stable under recommended storage conditions.
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| Toxicity/Toxicokinetics |
5-Fluorosalicylaldehyde is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Fluorinated compounds and aldehydes 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 |
Structure in the first source
5-Fluorosalicylaldehyde (CAS 347-54-6) is also known as 5-fluoro-2-hydroxybenzaldehyde. It is used as a building block in organic synthesis, as a key intermediate in the synthesis of pharmaceutical agents targeting neurological disorders, in the manufacture of dyes, pharmaceuticals, and agrochemicals, and to modify polymers to enhance properties such as thermal stability and chemical resistance. No clinical trials or therapeutic approvals exist. |
| Molecular Formula |
C7H5FO2
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|---|---|
| Molecular Weight |
140.11
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| Exact Mass |
140.027
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| CAS # |
347-54-6
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| PubChem CID |
2737328
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| Appearance |
Light yellow to light brown solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
207.4±20.0 °C at 760 mmHg
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| Melting Point |
82-85 °C(lit.)
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| Flash Point |
79.2±21.8 °C
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| Vapour Pressure |
0.2±0.4 mmHg at 25°C
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| Index of Refraction |
1.587
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| LogP |
2.1
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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 |
10
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| Complexity |
127
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(C=C1F)C=O)O
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| InChi Key |
FDUBQNUDZOGOFE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H5FO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
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| Chemical Name |
5-fluoro-2-hydroxybenzaldehyde
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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 (~713.7 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (35.69 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 2: ≥ 5 mg/mL (35.69 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 | 7.1372 mL | 35.6862 mL | 71.3725 mL | |
| 5 mM | 1.4274 mL | 7.1372 mL | 14.2745 mL | |
| 10 mM | 0.7137 mL | 3.5686 mL | 7.1372 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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