(4-Bromophenyl)boronic acid

Basic Information

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CAS Number

5467-74-3

Molecular Formula

C6H6BBrO2

Molecular Weight

200.83 g/mol

EINECS

226-779-9

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

284-288 °C

Boiling Point

315℃ at 760 mmHg

Density

1.6700

Water Solubility

Soluble in methanol. Insoluble in water.

Flash Point

144.3℃

SMILES

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

InChI

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

InChIKey

QBLFZIBJXUQVRF-UHFFFAOYSA-N

LogP

0.1288999999999999

pKa

8.32±0.10(Predicted)

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

102

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Storage Conditions

Keep in dark place,Sealed in dry,Room Temperature

RTECS

CY8650000

Synonyms & References

English

NCGC00092014-02
(4-Bromophenyl)boronicacid
Boronic acid, B-(4-bromophenyl);4-Bromophenylboronic acid
Benzeneboronic acid, p-bromo-
PD182103
SY013412
DTXSID90203129
AS-2310
Dihydroxy-4-bromophenylborane
AM20060339
NSC25407
Q63398883
4-Bromophenylboronic
BRN 2936347
4-bromo-benzeneboronic acid
WLN: QBQR DE
p-Bromophenylboronic acid
p-bromophenyl boronic acid
SCHEMBL24700
4-bromo phenyl boronic acid
4-bromophenyl boronic acid
(4-bromophenyl) boronic acid
Boronic acid, (4-bromophenyl)-
4bromobenzene boronic acid
4bromophenylboronic acid
4-16-00-01668 (Beilstein Handbook Reference)
4-Bromophenylboronic acid, >=95.0%
CS-W008847
(p-Bromophenyl)boronic acid
4-bromo-phenyl-boronic acid
B1858

MDL Number

MFCD00002104

EC Number

226-779-9

Customs Code

2931900090

FAQ

What is (4-Bromophenyl)boronic acid (CAS: 5467-74-3)?

(4-Bromophenyl)boronic acid is a brominated aromatic boronic acid compound with the chemical formula C6H5BrBO2. It is a white crystalline solid that is typically used in organic synthesis due to its reactivity and functional group versatility. The compound exhibits moderate solubility in water and organic solvents, and is known for its ability to participate in various chemical reactions, including Suzuki coupling and other cross-coupling processes.

What are the main uses of (4-Bromophenyl)boronic acid (CAS: 5467-74-3)?

(4-Bromophenyl)boronic acid is widely used in pharmaceutical research for the synthesis of bioactive molecules and drug candidates. It also finds applications in industrial chemistry for the production of specialty chemicals and in organic synthesis as a versatile building block. Its unique structure makes it valuable in the development of new materials and in catalytic processes.

Is (4-Bromophenyl)boronic acid (CAS: 5467-74-3) safe?

While (4-Bromophenyl)boronic acid is generally considered safe in controlled laboratory settings, it should be handled with care. The compound may cause skin and eye irritation, and inhalation of its vapors can be harmful. Safety protocols include using appropriate personal protective equipment (PPE) and working in a well-ventilated area. It is important to follow standard chemical safety guidelines for handling and disposal.

How should (4-Bromophenyl)boronic acid (CAS: 5467-74-3) be stored?

(4-Bromophenyl)boronic acid should be stored in a cool, dry, and dark place, preferably at 2-8°C. It is sensitive to moisture and should be kept in a sealed container to prevent degradation. Avoid exposure to light and air to maintain its stability and purity. Proper storage is essential for preserving its chemical integrity and ensuring safe handling.