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(3-Cyano-2-fluoro-5-methylphenyl)boronic acid

CAS 1801916-87-9Formula C8H7BFNO2MW 178.96PubChem 125452976

(3-Cyano-2-fluoro-5-methylphenyl)boronic acid is a functionalized boronic acid derivative. It features a phenyl ring substituted with cyano, fluoro, and methyl groups, making it a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions in research applications.

Loading RDKit molecule structure...
InChIKey: NHSWQDXNSFFPGH-UHFFFAOYSA-NC8H7BFNO2 | MW 178.96

Chemical Identity

Molecular Formula

C8H7BFNO2

Molecular Weight

178.96 g/mol

Exact Mass

179.055387

PubChem CID

125452976

SMILES String

Cc1cc(C#N)c(F)c(B(O)O)c1

Names & Synonyms

(3-Cyano-2-fluoro-5-methylphenyl)boronicacid
External Identifiers
MFCD30499194EN300-337625

Catalog Overview

(3-Cyano-2-fluoro-5-methylphenyl)boronic acid, identified by CAS 1801916-87-9, is an organoboron compound featuring a phenyl ring substituted with a cyano group, a fluorine atom, and a methyl group, along with a boronic acid moiety. With a molecular formula of C8H7BFNO2 and a molecular weight of 178.96, this compound serves as a functionalized intermediate. Its boronic acid functionality makes it a valuable reagent in various cross-coupling reactions, such as the Suzuki-Miyaura coupling, for forming carbon-carbon bonds in the synthesis of complex organic molecules for research purposes.

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

140.0 °C

Boiling Point

300.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

195.0 °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 under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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