(2-Chloro-3-pyridinyl)boronic acid

Basic Information

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CAS Number

381248-04-0

Molecular Formula

C5H5BClNO2

Molecular Weight

157.36 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

121-134 °C

Boiling Point

349.3 oC at 760 mmHg

Density

1.4100

Flash Point

165.1℃

Refractive Index

1.559

SMILES

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B(C1=C(N=CC=C1)Cl)(O)O

InChI

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

InChIKey

VRDAOVQZVXYRNH-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

CS-D1047
2-chloro-3-pyridineboronic acid
Z1203162399
PB10233
(2-chloropyridin-3-yl)boronicAcid
BCP21916
2-chloropyridin-3-ylboronic acid
2-Chloro-3-pyridyl boronic acid
2-choropyridine-3-boronic acid
(2-chloro-3-pyridyl)boronic acid
2-Chloro-3-pyridylboronic acid
2-chlorpyridine-3-boronic acid
A6470
2-chloro-3-pyridinylboronic acid
2-chloropyridin-3-yl-3-boronic acid
AKOS000285082
SY014063
2-Chloropyridine-3-boronicacid
C2560
MFCD03094997
DTXSID00376378
VRDAOVQZVXYRNH-UHFFFAOYSA-N
381248-04-0
BP-10297
2-Chloropyridine-3-boronic acid
BORONIC ACID, (2-CHLORO-3-PYRIDINYL)-
HY-32953
AS-3108
CHEMBL3236607
(2-chloropyridin-3-yl)boronic Acid
BB 0259867

MDL Number

MFCD03094997

Customs Code

2933399090

FAQ

What are the physical and chemical properties of (2-Chloro-3-pyridinyl)boronic acid (CAS: 381248-04-0)?

(2-Chloro-3-pyridinyl)boronic acid (CAS: 381248-04-0) is a crystalline solid with a molecular weight of approximately 193.04 g/mol. It has a solubility of 1.05 g/L in water. Chemically, it is highly reactive towards nucleophiles and is commonly used in Suzuki coupling reactions. It is stable under normal temperature and pressure conditions but should be stored away from moisture and heat to prevent hydrolysis.

How is (2-Chloro-3-pyridinyl)boronic acid (CAS: 381248-04-0) typically synthesized?

(2-Chloro-3-pyridinyl)boronic acid (CAS: 381248-04-0) is typically synthesized via the condensation of 2-chloro-3-pyridineboronic anion with a suitable alcohol or phenol. Common methods include the use of boronic acids with diisopropyl azodicarboxylate (DIAD) and triphenylphosphine (Ph3P) as a catalyst. The yield is generally high, and the reaction is known for its good regioselectivity and chemoselectivity.

What industries use (2-Chloro-3-pyridinyl)boronic acid (CAS: 381248-04-0)?

(2-Chloro-3-pyridinyl)boronic acid (CAS: 381248-04-0) is used in various industries, primarily in pharmaceuticals and organic synthesis. It plays a crucial role in the synthesis of complex organic molecules, particularly in the development of new drugs. Additionally, it is utilized in the production of polymers and as a reagent in analytical chemistry for the detection of various compounds.

What precautions should be taken when handling (2-Chloro-3-pyridinyl)boronic acid (CAS: 381248-04-0)?

When handling (2-Chloro-3-pyridinyl)boronic acid (CAS: 381248-04-0), it is essential to wear chemical-resistant gloves, protective goggles, and a lab coat to prevent skin contact and eye irritation. It should be stored in a cool, dry place away from moisture and heat. In the event of a spill, use appropriate PPE and clean up with care. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal guidelines.