(3-Chloro-4-pyridinyl)boronic acid

Basic Information

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CAS Number

458532-98-4

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

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

95-97 °C

Water Solubility

Slightly soluble in water.

SMILES

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

InChI

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

InChIKey

JLIHQPWLAOYTRH-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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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Synonyms & References

English

BORONIC ACID, (3-CHLORO-4-PYRIDINYL)-
3-chloro-4-pyridineboronic acid, AldrichCPR
J-512338
FT-0600762
3-chloro-pyridine-4-yl boronic acid
MFCD06798221
(3-chloropyridin-4-yl)boronicAcid
AKOS006220751
(3-chloropyridin-4-yl)boronic Acid
BP-10401
EN300-212516
3-Chloropyridin-4-boronic acid
458532-98-4
MFCD03425942
DTXSID10397514
SY019383
JLIHQPWLAOYTRH-UHFFFAOYSA-N
GS-6282
3-Chloro-4-pyridineboronic acid
3-Chloropyridine-4-boronic acid
(3-chloro-4-pyridyl)boronic acid
CS-W010907
AB14722
SCHEMBL115776
3-chloropyridin-4-ylboronic acid
AM20061838
3-CHLOROPYRIDIN-4-YL-4-BORONIC ACID
BCP21915
(3-Chloropyridin-4-yl)boronic acid
3-Chloro-4-pyridineboronic acid hydrate
3-Chlorolpyridine-4-boronic acid

MDL Number

MFCD03425942

Customs Code

2933399090

FAQ

What is (3-Chloro-4-pyridinyl)boronic acid (CAS: 458532-98-4)?

(3-Chloro-4-pyridinyl)boronic acid, with CAS number 458532-98-4, is an organic compound with a boronic acid group attached to a pyridine ring substituted with a chlorine atom. This compound is characterized by its stability and reactivity, making it useful in various chemical reactions.

What are the main uses of (3-Chloro-4-pyridinyl)boronic acid (CAS: 458532-98-4)?

(3-Chloro-4-pyridinyl)boronic acid is primarily used in organic synthesis, particularly in Suzuki coupling reactions, as a boronic acid coupling partner. It also finds applications in pharmaceuticals and materials science for its reactivity and stability.

Is (3-Chloro-4-pyridinyl)boronic acid (CAS: 458532-98-4) safe?

(3-Chloro-4-pyridinyl)boronic acid is generally considered safe when handled with proper precautions. However, it should be kept away from moisture and strong oxidizers. Users should wear appropriate personal protective equipment (PPE) such as gloves and goggles during handling.

How should (3-Chloro-4-pyridinyl)boronic acid (CAS: 458532-98-4) be stored?

(3-Chloro-4-pyridinyl)boronic acid should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Proper ventilation is recommended during handling to avoid inhalation of any fumes.