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(2-Chloro-5-cyano-4-methylphenyl)boronic acid

CAS 1393536-50-9Formula C8H7BClNO2MW 195.41PubChem 130058718

(2-Chloro-5-cyano-4-methylphenyl)boronic acid is an arylboronic acid derivative primarily used as a versatile building block in organic synthesis. It is particularly valuable in Suzuki-Miyaura cross-coupling reactions for forming carbon-carbon bonds, enabling the synthesis of complex organic molecules and pharmaceutical intermediates in research settings.

Loading RDKit molecule structure...
InChIKey: KNKWZERJVQDIOR-UHFFFAOYSA-NC8H7BClNO2 | MW 195.41

Chemical Identity

Molecular Formula

C8H7BClNO2

Molecular Weight

195.41 g/mol

Exact Mass

195.025836

PubChem CID

130058718

SMILES String

Cc1cc(Cl)c(B(O)O)cc1C#N

Names & Synonyms

858-192-4(2-Chloro-5-cyano-4-methylphenyl)boronicacid2-Chloro-5-cyano-4-methylphenylboronic acidZ1618121945
External Identifiers
RefChem:395621SCHEMBL27191895CS-34326EN300-4420586

Catalog Overview

(2-Chloro-5-cyano-4-methylphenyl)boronic acid, identified by CAS 1393536-50-9, is a highly functionalized arylboronic acid with the molecular formula C8H7BClNO2 and a molecular weight of 195. 41 g/mol. This compound features a phenyl ring substituted with a chlorine atom, a cyano group, a methyl group, and a boronic acid moiety. As a functionalized intermediate, it is a valuable reagent in synthetic organic chemistry.

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Read more catalog context

(2-Chloro-5-cyano-4-methylphenyl)boronic acid, identified by CAS 1393536-50-9, is a highly functionalized arylboronic acid with the molecular formula C8H7BClNO2 and a molecular weight of 195.41 g/mol. This compound features a phenyl ring substituted with a chlorine atom, a cyano group, a methyl group, and a boronic acid moiety. As a functionalized intermediate, it is a valuable reagent in synthetic organic chemistry. Its boronic acid group readily participates in various coupling reactions, most notably the Suzuki-Miyaura cross-coupling, to introduce the substituted phenyl ring into target molecules. The presence of chloro, cyano, and methyl groups offers diverse opportunities for further chemical modifications and allows for the construction of complex molecular architectures relevant to medicinal chemistry, agrochemistry, and materials science research. This compound is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

218.0 °C

Boiling Point

288.0 °C

Density

1.4 g/cm³

Water Solubility

9.33 × 10⁻⁴ mol/L

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials. This chemical is for research use only and not for human or animal consumption.

Related Products / Graph Discovery

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