2-Chloropyridine-4-boronic acid

Basic Information

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CAS Number

458532-96-2

Molecular Formula

C5H5BClNO2

Molecular Weight

157.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

210°C

Boiling Point

355.1°C at 760 mmHg

Density

1.4100

Flash Point

168.6℃

Refractive Index

1.559

SMILES

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B(C1=CC(=NC=C1)Cl)(O)O

InChI

InChI=1S/C5H5BClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H

InChIKey

WJYRVVDXJMJLTN-UHFFFAOYSA-N

LogP

-0.5852000000000004

Topological Polar Surface Area

53.35 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

114

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

Synonyms & References

English

C2589
(2-chloropyridin-4-yl)boronicAcid
AKOS004119272
CS-D1048
WJYRVVDXJMJLTN-UHFFFAOYSA-N
AC-6990
MFCD03788416
2-chloro-pyridine-4-boronic acid
FT-0644701
2-Chloropyridine-4-boronic acid
(2-chloropyridin-4-yl)boronic Acid
A7191
2-chloropyrid-4-yl boronic acid
J-500723
2-Chloro-4-pyridineboronic acid
2-CHLOROPYRIDIN-4-BORONIC ACID
458532-96-2
AB15988
SY006037
AM20070092
J-500721
BORONIC ACID, (2-CHLORO-4-PYRIDINYL)-
2-chloro-4-pyridine boronic acid
SCHEMBL200588
EN300-62789
2-chloropyridin-4-ylboronic acid
2-CHLORO-4-PYRIDINYLBORONIC ACID
2-Chloro-4-pyridylboronic acid
2-chloro-pyridin-4-yl-boronic acid
Z985148286
RB2042

MDL Number

MFCD03788416

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Chloropyridine-4-boronic acid (CAS: 458532-96-2)?

2-Chloropyridine-4-boronic acid is a crystalline solid with a molecular weight of approximately 217.03 g/mol. It has a solubility of about 0.7 g/100 mL in water. This compound is known for its reactivity, particularly in Suzuki coupling reactions, and it shows moderate basicity. It reacts with acids to form 2-chloropyridine-4-boronic acid salts.

How is 2-Chloropyridine-4-boronic acid (CAS: 458532-96-2) typically synthesized?

2-Chloropyridine-4-boronic acid can be synthesized via a Stille coupling reaction, where 4-bromopyridine is reacted with chloroboronate ester in the presence of a palladium catalyst and a base. The reaction yields the target compound with good selectivity and high yield, making it a common method in organic synthesis.

What industries use 2-Chloropyridine-4-boronic acid (CAS: 458532-96-2)?

2-Chloropyridine-4-boronic acid is used in pharmaceuticals as a key intermediate in the synthesis of complex drug molecules. It also finds applications in the production of semiconductors, polymers, and sensors due to its reactivity and stability under various conditions.

What precautions should be taken when handling 2-Chloropyridine-4-boronic acid (CAS: 458532-96-2)?

When handling 2-chloropyridine-4-boronic acid, ensure to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.