(6-Bromo-2,3-difluorophenyl)boronic acid

Basic Information

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CAS Number

870718-10-8

Molecular Formula

C6H4BBrF2O2

Molecular Weight

236.81 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

324.5°C at 760 mmHg

Density

1.82

Flash Point

150.1°C

Refractive Index

1.547

SMILES

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FC1=C(F)C(B(O)O)=C(Br)C=C1

InChI

InChI=1S/C6H4BBrF2O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H

InChIKey

VZVDYVBOSRNBQL-UHFFFAOYSA-N

LogP

0.4071

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Safety Information

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Sensitiveness

对热敏感

Synonyms & References

English

(6-Bromo-2,3-difluorophenyl)boronic acid
2-BROMO-5,6-DIFLUOROPHENYLBORONIC ACID
6-Bromo-2,3-difluorophenylboronic acid
Boronic acid,B-(6-bromo-2,3-difluorophenyl)-

MDL Number

MFCD06200708

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (6-Bromo-2,3-difluorophenyl)boronic acid (CAS: 870718-10-8)?

(6-Bromo-2,3-difluorophenyl)boronic acid is a crystalline compound with a molecular weight of approximately 312.02 g/mol. It is slightly soluble in water but has good solubility in organic solvents like ethanol and acetonitrile. This compound exhibits moderate reactivity, particularly towards esters and carboxylic acids, making it useful in various organic synthesis reactions. Its physical properties include a melting point around 160-165°C and a density of approximately 1.35 g/cm³.

How is (6-Bromo-2,3-difluorophenyl)boronic acid (CAS: 870718-10-8) typically synthesized?

(6-Bromo-2,3-difluorophenyl)boronic acid can be synthesized by the Finkelstein method, where 2,3-difluorobromobenzene is treated with sodium hydride and then boron tribromide. This process yields high selectivity and good yield (up to 85%). The method requires careful handling to maintain high purity and requires the use of anhydrous conditions to prevent hydrolysis. The reaction is typically carried out in dimethylformamide (DMF) solvent.

What industries use (6-Bromo-2,3-difluorophenyl)boronic acid (CAS: 870718-10-8)?

(6-Bromo-2,3-difluorophenyl)boronic acid is primarily used in pharmaceuticals and polymer synthesis. It serves as a key intermediate in the synthesis of drug molecules, particularly those targeting specific receptors. Additionally, it finds applications in the development of advanced materials and sensors, where its unique chemical functionalities are utilized to enhance performance and stability.

What precautions should be taken when handling (6-Bromo-2,3-difluorophenyl)boronic acid (CAS: 870718-10-8)?

When handling (6-Bromo-2,3-difluorophenyl)boronic acid, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. For detailed safety information, refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS). The compound is not considered highly toxic, but it should still be handled with care due to its reactivity and potential skin irritation.