(2-Chloro-3-quinolinyl)boronic acid

Basic Information

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CAS Number

128676-84-6

Molecular Formula

C9H7BClNO2

Molecular Weight

207.42 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

144-147℃

Boiling Point

426.2 °C at 760 mmHg

Density

1.42

Flash Point

426.2 °C at 760 mmHg

Refractive Index

1.657

SMILES

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B(C1=CC2=CC=CC=C2N=C1Cl)(O)O

InChI

InChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H

InChIKey

JAQXYUOPSOXQCG-UHFFFAOYSA-N

LogP

0.5679999999999998

Topological Polar Surface Area

53.35000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

205

Safety Information

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Hazard Statement

Synonyms & References

English

A22968
2-Chloroquinolin-3-boronic acid
PS-9609
2-Chloroquinoline-3-boronic acid
A805856
(2-chloro-quinolin-3-yl)-boronic acid
FT-0643095
J-509173
2-Chloro-3-quinolineboronic acid, >=95%
AMY17915
F0001-2426
2-Chloroquinolin-3-ylboronic acid
MFCD01114675
AB08332
128676-84-6
SCHEMBL115832
AKOS004116513
2-Chloroquinoline-3-boronicacid
(2-chloro-3-quinolinyl)boronic acid
JAQXYUOPSOXQCG-UHFFFAOYSA-N
(2-chloranylquinolin-3-yl)boronic acid
Boronic acid, B-(2-chloro-3-quinolinyl)-
(2-chloroquinolin-3-yl)boronic Acid
DTXSID90400737
2-Chloro-3-quinolineboronic acid
2-chloroquinolin-3-yl-3-boronic acid
2-chloroquinolin-3-ylboronic acid
(2-chloro-3-quinolinyl)boronic acid(SALTDATA: FREE)
(2-chloroquinolin-3-yl)boronic acid
(2-Chloro-3-quinolinyl)boronic acid
AKOS BRN-0209

MDL Number

MFCD01114675

Customs Code

2933499090

FAQ

What are the physical and chemical properties of (2-Chloro-3-quinolinyl)boronic acid (CAS: 128676-84-6)?

(2-Chloro-3-quinolinyl)boronic acid is a crystalline solid with a molecular weight of approximately 245.01 g/mol. It has a low solubility in water but is soluble in organic solvents like dichloromethane and ethanol. The compound is known for its reactivity towards boronic acid coupling reactions, commonly used in organic synthesis.

How is (2-Chloro-3-quinolinyl)boronic acid (CAS: 128676-84-6) typically synthesized?

(2-Chloro-3-quinolinyl)boronic acid is typically synthesized by the reaction of 3-quinolylboronic acid with chlorine gas in the presence of a catalyst, such as iron(III) chloride. The reaction is selective and yields a high percentage of the desired product, making it a common method in the synthesis of boronic acids.

What industries use (2-Chloro-3-quinolinyl)boronic acid (CAS: 128676-84-6)?

(2-Chloro-3-quinolinyl)boronic acid finds applications in the pharmaceutical industry for the synthesis of drug intermediates, in the polymer industry for the modification of materials, and in the sensor industry for the development of chemical sensors. It is also used in semiconductor manufacturing for certain processing steps.

What precautions should be taken when handling (2-Chloro-3-quinolinyl)boronic acid (CAS: 128676-84-6)?

When handling (2-Chloro-3-quinolinyl)boronic acid, it is important to wear protective gloves, goggles, and a lab coat. Ensure that all operations are conducted in a fume hood to minimize exposure to vapors. In case of a spill, immediately clean up with caution, using appropriate personal protective equipment and following standard safety procedures. Always refer to the Safety Data Sheet (SDS) for detailed information and emergency response instructions.