[3-(1H-Pyrazol-1-yl)phenyl]boronic acid

Basic Information

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CAS Number

476620-22-1

Molecular Formula

C9H9BN2O2

Molecular Weight

187.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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OB(O)c1cccc(c1)n2cccn2

InChI

InChI=1S/C9H9BN2O2/c13-10(14)8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7,13-14H

InChIKey

NMBKAXJHGMDYGA-UHFFFAOYSA-N

LogP

-0.4479000000000004

Topological Polar Surface Area

58.28 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(3-(1H-pyrazol-1-yl)phenyl)boronic acid
(3-pyrazol-1-ylphenyl)boronic acid
[3-(1H-Pyrazol-1-yl)phenyl]boronic acid
[3-(1H-pyrazol-1-yl)phenyl]boronic acid(SALTDATA: FREE)
3-(1H-pyrazol-1-yl)phenylboronic acid
3-Pyrazol-1-yl-phenylboronic acid

MDL Number

MFCD05864582

Customs Code

2933199090

FAQ

What regulatory guidelines apply to [3-(1H-Pyrazol-1-yl)phenyl]boronic acid (CAS: 476620-22-1)?

The [3-(1H-Pyrazol-1-yl)phenyl]boronic acid (CAS: 476620-22-1) is subject to several regulatory guidelines. It is classified under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a class 8 corrosive substance. Additionally, it adheres to the European Union's REACH regulations, which require manufacturers and importers to register substances with the European Chemicals Agency (ECHA). FDA and EPA have specific requirements for the documentation and handling of this compound in the United States, including safety data sheets (SDS) and proper labeling.

Are there alternatives to [3-(1H-Pyrazol-1-yl)phenyl]boronic acid (CAS: 476620-22-1) in synthesis?

Yes, there are alternatives to [3-(1H-Pyrazol-1-yl)phenyl]boronic acid (CAS: 476620-22-1) in synthesis, such as [2-(1H-pyrazol-1-yl)phenyl]boronic acid and 4-(1H-pyrazol-1-yl)benzeneboronic acid. These boronic acids are structurally similar and can be used as precursors in Suzuki coupling reactions. Alternative reagents like triphenylphosphine and other organoboranes can also serve as effective substitutes in some synthetic routes.

What is the market or research trend for [3-(1H-Pyrazol-1-yl)phenyl]boronic acid (CAS: 476620-22-1)?

The market and research trends for [3-(1H-Pyrazol-1-yl)phenyl]boronic acid (CAS: 476620-22-1) are growing due to its utility in medicinal chemistry and organic synthesis. This compound is particularly in demand for the development of new drugs and materials. Research is focusing on its application in catalytic reactions, especially in the synthesis of complex molecules. Additionally, there is an increasing interest in the environmental and biodegradability of such boronic acids, which is driving further investigation into their properties and potential uses.

How should waste containing [3-(1H-Pyrazol-1-yl)phenyl]boronic acid (CAS: 476620-22-1) be handled?

Waste containing [3-(1H-Pyrazol-1-yl)phenyl]boronic acid (CAS: 476620-22-1) should be handled carefully to ensure environmental safety. Waste liquids should be collected in appropriate containers and labeled with the CAS number and the nature of the waste. The waste should then be neutralized if necessary and disposed of through a hazardous waste disposal service. Incineration is another option, but it should be conducted in compliance with local regulations. Proper environmental protection precautions, such as using personal protective equipment (PPE) and following safety protocols, are essential to prevent exposure and environmental contamination.