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

CAS 2225178-62-9Formula C8H7BClNO2MW 195.41PubChem 133661968

(2-Chloro-5-cyano-3-methylphenyl)boronic acid is a functionalized arylboronic acid derivative, primarily used as a versatile building block in organic synthesis. It is particularly valuable for Suzuki-Miyaura cross-coupling reactions to construct complex molecular structures for research purposes.

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

Chemical Identity

Molecular Formula

C8H7BClNO2

Molecular Weight

195.41 g/mol

Exact Mass

195.025836

PubChem CID

133661968

SMILES String

Cc1cc(C#N)cc(B(O)O)c1Cl

Names & Synonyms

2-Chloro-3-methyl-5-cyanophenylboronic acid
External Identifiers
CS-34306

Catalog Overview

(2-Chloro-5-cyano-3-methylphenyl)boronic acid, identified by CAS 2225178-62-9 and molecular formula C8H7BClNO2, is a functionalized arylboronic acid. This compound features a phenyl ring substituted with a chlorine atom, a cyano group, a methyl group, and a boronic acid moiety. It serves as a versatile building block in synthetic organic chemistry, particularly valuable in Suzuki-Miyaura cross-coupling reactions for the formation of new carbon-carbon bonds. Its distinct functional groups make it an important intermediate for the synthesis of complex organic molecules, including potential pharmaceutical intermediates and...

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

(2-Chloro-5-cyano-3-methylphenyl)boronic acid, identified by CAS 2225178-62-9 and molecular formula C8H7BClNO2, is a functionalized arylboronic acid. This compound features a phenyl ring substituted with a chlorine atom, a cyano group, a methyl group, and a boronic acid moiety. It serves as a versatile building block in synthetic organic chemistry, particularly valuable in Suzuki-Miyaura cross-coupling reactions for the formation of new carbon-carbon bonds. Its distinct functional groups make it an important intermediate for the synthesis of complex organic molecules, including potential pharmaceutical intermediates and agrochemicals, exclusively for research and development applications.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

145.0 °C

Boiling Point

300.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

157.0 °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 chemical-resistant gloves, safety glasses or goggles, and a lab coat. Ensure use in a well-ventilated area or a chemical fume hood to prevent inhalation. Avoid direct contact with skin and eyes. In case of exposure, rinse affected areas immediately with plenty of water and seek medical attention if irritation persists. Store the compound in a cool, dry place, away from incompatible materials. Always refer to the Safety Data Sheet (SDS) for comprehensive safety guidelines prior to handling.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

1805497-46-4CAS 1805497-46-4
1338989-35-7CAS 1338989-35-7

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293190GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.