3-Bromophenylboronic acid

Basic Information

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CAS Number

89598-96-9

Molecular Formula

C6H6BBrO2

Molecular Weight

200.83 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

164-168 °C

Boiling Point

330.5℃ at 760 mmHg

Density

1.67

Flash Point

153.7 ºC

Refractive Index

1.598

SMILES

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B(C1=CC(=CC=C1)Br)(O)O

InChI

InChI=1S/C6H6BBrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H

InChIKey

AFSSVCNPDKKSRR-UHFFFAOYSA-N

LogP

0.12889999999999968

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

110

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Bromophenylboronic acid
3-Bromobenzeneboronic acid
3-Bromophenylboronic Acid (contains varying amounts of Anhydride)
(3-Bromophenyl)boronic acid
3-Bromophenylboronic Acid
1-(4-Hydroxyphenyl)piperazine
3-Bromobenzeneboronic Acid (contains varying amounts of Anhydride)
Benzeneboronicacid, m-bromo- (6CI,7CI)
Boronic acid, (3-bromophenyl)- (9CI)
3-Bromophenylboronicacid
3-Bromophenyl boronic acid
Boronic acid, (3-bromophenyl)-
PubChem1758
3-borophenylboronic acid
3-bromo-phenylboronic acid
3-bromo-benzeneboronic acid
3-bromobenzene boronic acid
3-bromo-phenyl boronic acid
3-bromo-benzene-boronic acid
3-bromo benzene boronic acid
(3-bromobenzene)boronic acid
KSC448A2
B-(3-Bromophenyl)boronic acid (ACI)
Benzeneboronic acid, m-bromo- (6CI, 7CI)
CHEMBL278140
3-Bromophenylboronic
AS-2312
DB-010545
AB05452
AKOS BRN-0083
3-Bromobenzeneboronic Acid

MDL Number

MFCD00239386

Customs Code

2931900090

FAQ

What is 3-Bromophenylboronic acid (CAS: 89598-96-9)?

3-Bromophenylboronic acid is a brominated aromatic compound with the chemical formula C6H5BrO2B. It is a white to off-white solid at room temperature and is commonly used in organic synthesis. This compound is known for its reactivity in boronic acid reactions and is often utilized as a building block in the development of pharmaceuticals and agrochemicals.

What are the main uses of 3-Bromophenylboronic acid (CAS: 89598-96-9)?

3-Bromophenylboronic acid is widely used in the pharmaceutical industry for synthesizing various drug molecules. It also finds applications in agrochemicals and materials science. In research settings, it serves as a key intermediate in the development of new chemical compounds. Its utility in Suzuki coupling reactions makes it valuable in organic chemistry and drug discovery.

Is 3-Bromophenylboronic acid (CAS: 89598-96-9) safe?

3-Bromophenylboronic acid is generally considered safe when handled properly, but it requires caution due to its potential irritant properties. It should be used in a well-ventilated area and with appropriate personal protective equipment. Safety data sheets (SDS) recommend avoiding inhalation and skin contact. It is not classified as highly toxic, but standard chemical safety protocols should be followed.

How should 3-Bromophenylboronic acid (CAS: 89598-96-9) be stored?

3-Bromophenylboronic acid should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is sensitive to moisture and should be kept in a sealed container to maintain stability. Avoid exposure to air and light to prevent degradation. Proper storage ensures the longevity and effectiveness of the compound in various applications.