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

CAS 2225179-44-0Formula C8H7BClNO2MW 195.41PubChem 133634863

(3-Chloro-5-cyano-2-methylphenyl)boronic acid is a functionalized arylboronic acid, featuring a phenyl ring substituted with chloro, cyano, and methyl groups, along with a boronic acid moiety. It serves as a versatile building block in organic synthesis, particularly for cross-coupling reactions in research.

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

Chemical Identity

Molecular Formula

C8H7BClNO2

Molecular Weight

195.41 g/mol

Exact Mass

195.025836

PubChem CID

133634863

SMILES String

Cc1c(Cl)cc(C#N)cc1B(O)O

Names & Synonyms

3-Chloro-2-methyl-5-cyanophenylboronic acid
External Identifiers
CS-34332

Catalog Overview

(3-Chloro-5-cyano-2-methylphenyl)boronic acid, with CAS 2225179-44-0, is a key organic intermediate characterized by its unique substitution pattern on a phenyl ring. It contains a chlorine atom, a cyano group, and a methyl group, alongside a boronic acid functional group. This combination makes it highly valuable in various synthetic methodologies, including Suzuki-Miyaura cross-coupling reactions, for the construction of complex molecular architectures. Researchers utilize this compound for the introduction of substituted aryl groups into target molecules, facilitating the synthesis of novel compounds in medicinal chemistry,...

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Read more catalog context

(3-Chloro-5-cyano-2-methylphenyl)boronic acid, with CAS 2225179-44-0, is a key organic intermediate characterized by its unique substitution pattern on a phenyl ring. It contains a chlorine atom, a cyano group, and a methyl group, alongside a boronic acid functional group. This combination makes it highly valuable in various synthetic methodologies, including Suzuki-Miyaura cross-coupling reactions, for the construction of complex molecular architectures. Researchers utilize this compound for the introduction of substituted aryl groups into target molecules, facilitating the synthesis of novel compounds in medicinal chemistry, agrochemistry, and materials science research.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

190.0 °C

Boiling Point

350.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

180.0 °C

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 fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

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