| 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.
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| 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.
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| 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
|
| 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
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| 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
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| 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 | 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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