| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
Benzeneboronic acid does not have a biological target. It is a chemical reagent used in organic synthesis. Its primary function is as a boronic acid, which can form reversible covalent bonds with diols and other Lewis bases. This property is exploited in various chemical reactions. It is not intended for use as a therapeutic agent.
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|---|---|
| ln Vitro |
In the coupling reaction between Mizuroki Heck and Suzuki Miyaura, phenylboronic acid is a kind of boric acid.
Benzeneboronic acid is not used for biological assays. Its activity is strictly chemical, serving as a building block in organic synthesis. It is a key reagent in the Suzuki reaction, which is used to form carbon-carbon bonds. It can also be used in the synthesis of boronic acid derivatives. |
| ln Vivo |
Benzeneboronic acid is not used for in vivo applications, as it is not a drug. It has no known therapeutic effects and is not administered to humans or animals. Its use is confined to the chemical laboratory.
|
| Enzyme Assay |
Benzeneboronic acid has no enzyme or receptor binding assays. Its characterization involves chemical analysis, such as determination of melting point, purity by HPLC, and structural confirmation by NMR and mass spectrometry. These tests ensure its quality as a chemical reagent.
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| Cell Assay |
Benzeneboronic acid is not used in cellular assays, as it is not a biologically active compound. Its effects on cells are not studied. It would not be tested in standard cell-based assays used for drug discovery.
|
| Animal Protocol |
Benzeneboronic acid is not used in animal experiments. It has no biological activity and is not a candidate for drug development. Animal studies would not be conducted with this compound.
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| ADME/Pharmacokinetics |
Benzeneboronic acid has no pharmacokinetic properties, as it is not a drug. It is not absorbed, distributed, metabolized, or excreted in the context of pharmacology. Its chemical stability and reactivity are its primary characteristics.
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| Toxicity/Toxicokinetics |
Benzeneboronic acid is a chemical reagent and should be handled with standard laboratory precautions. It is considered to be of low toxicity. However, it may be irritating to the skin, eyes, and respiratory tract. It should be used in a well-ventilated fume hood, and contact with skin and eyes should be avoided.
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| Additional Infomation |
Phenylated boric acid is a member of the boric acid family, and its function is related to that of boric acid. It has been reported that phenylboronic acid has been found in blueberry (Vaccinium macrocarpon), and relevant data are available for reference.
Benzeneboronic acid is a widely used reagent in organic chemistry. It is a key component in the Suzuki-Miyaura coupling reaction, for which the 2010 Nobel Prize in Chemistry was awarded. It is used in the synthesis of pharmaceuticals, agrochemicals, and organic materials. It is also used as a sensor for carbohydrates due to its ability to bind to diols. It is not an FDA-approved drug. |
| Molecular Formula |
C6H7BO2
|
|---|---|
| Molecular Weight |
121.9296
|
| Exact Mass |
122.053
|
| CAS # |
98-80-6
|
| Related CAS # |
Phenylboronic acid-13C6
|
| PubChem CID |
66827
|
| Appearance |
White to off-white solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
265.9±23.0 °C at 760 mmHg
|
| Melting Point |
216-219 °C(lit.)
|
| Flash Point |
114.6±22.6 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.534
|
| LogP |
1.59
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
9
|
| Complexity |
79.1
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
OB(C1C=CC=CC=1)O
|
| InChi Key |
HXITXNWTGFUOAU-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
|
| Chemical Name |
phenylboronic 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) |
DMSO: ~100 mg/mL (~820.1 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.50 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 (25.0 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: ≥ 2.5 mg/mL (20.50 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 (25.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.2014 mL | 41.0071 mL | 82.0143 mL | |
| 5 mM | 1.6403 mL | 8.2014 mL | 16.4029 mL | |
| 10 mM | 0.8201 mL | 4.1007 mL | 8.2014 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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