| Size | Price | Stock | Qty |
|---|---|---|---|
| 250g |
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| Other Sizes |
| Targets |
3-Fluorobenzoic acid does not target a specific protein or enzyme for pharmacological intervention. Its utility is as a chemical reagent and synthetic intermediate for organic synthesis. The compound may be used in studies of bacterial metabolism.
|
|---|---|
| ln Vitro |
utilized as stepping stones in chemical synthesis
The in vitro activity of 3-Fluorobenzoic acid is its function as a chemical reagent for organic synthesis. The compound is used in the preparation of regulation of phenolic acid synthesis in Bacillus subtilis and in the bacterial decarboxylation of o-phthalic acids. It is a useful building block for the synthesis of various fluorinated organic compounds. |
| ln Vivo |
No significant in vivo activity has been reported for 3-Fluorobenzoic acid as a therapeutic agent. The compound is primarily utilized as a chemical reagent and synthetic intermediate rather than a pharmacologically active compound.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays are not typically performed for 3-Fluorobenzoic acid, as it functions as a chemical reagent rather than a drug candidate. The compound is used in organic synthesis and bacterial metabolism studies.
|
| Cell Assay |
For in vitro cellular experiments, 3-Fluorobenzoic acid is not typically used in cell-based assays. The compound is primarily used as a chemical intermediate in organic synthesis.
|
| Animal Protocol |
In vivo animal experiments with 3-Fluorobenzoic acid are not commonly performed, as the compound is primarily used as a chemical reagent rather than a therapeutic candidate.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-Fluorobenzoic acid have not been characterized, as it is a research-use chemical reagent rather than a drug candidate. The compound has a molecular weight of 140.11 g/mol and a melting point of 121.0 to 125.0°C. It should be stored at room temperature in a cool and dark place (<15°C).
|
| Toxicity/Toxicokinetics |
3-Fluorobenzoic acid is classified as a low to moderate toxicity compound that is irritating to eyes, skin, and mucous membranes, and has anesthetic and liver/kidney damaging effects. It is intended for research use only and not for human therapeutic or diagnostic applications.
|
| Additional Infomation |
3-Fluorobenzoic acid is a fluorobenzoic acid, which is the product of benzoic acid with a fluorine atom substituted at the 3-position. It is the conjugate acid of 3-fluorobenzoic acid esters.
3-Fluorobenzoic acid (meta-Fluorobenzoic acid) is a compound useful in organic synthesis and in bacterial metabolism studies. The compound has no clinical or therapeutic applications. |
| Molecular Formula |
C7H5FO2
|
|---|---|
| Molecular Weight |
140.11
|
| Exact Mass |
140.027
|
| CAS # |
455-38-9
|
| PubChem CID |
9968
|
| Appearance |
White to off-white solid powder
|
| Density |
1.474
|
| Boiling Point |
251.1ºC at 760mmHg
|
| Melting Point |
122-124 °C(lit.)
|
| Flash Point |
105.7ºC
|
| Vapour Pressure |
0.0109mmHg at 25°C
|
| LogP |
1.523
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
10
|
| Complexity |
136
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
FC1=C([H])C([H])=C([H])C(C(=O)O[H])=C1[H]
|
| InChi Key |
MXNBDFWNYRNIBH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
|
| Chemical Name |
3-fluorobenzoic acid
|
| 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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| 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 | 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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