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2-Cyano-3-fluoro-6-methylphenylboronic acid pinacol ester

CAS 2253959-58-7Formula C14H17BFNO2MW 261.1PubChem 134128676

This compound is a functionalized intermediate, specifically a boronic acid pinacol ester derivative. It contains a cyanophenyl group, a fluorine atom, and a methyl group, making it suitable for various synthetic transformations in research and development.

Loading RDKit molecule structure...
InChIKey: YVNOHGCKDQFCKG-UHFFFAOYSA-NC14H17BFNO2 | MW 261.1

Chemical Identity

Molecular Formula

C14H17BFNO2

Molecular Weight

261.1 g/mol

Exact Mass

261.133637

PubChem CID

134128676

IUPAC Name

6-fluoro-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

SMILES String

Cc1ccc(F)c(C#N)c1B1OC(C)(C)C(C)(C)O1

Names & Synonyms

2-Cyano-3-fluoro-6-methylphenylboronicacidpinacolester
External Identifiers
SCHEMBL22330825DB-415058CS-0176253

Catalog Overview

2-Cyano-3-fluoro-6-methylphenylboronic acid pinacol ester (CAS 2253959-58-7) is a versatile organoboron compound with the molecular formula C14H17BFNO2 and a molecular weight of 261. 10. This compound features a phenyl ring substituted with a cyano group, a fluorine atom, a methyl group, and a pinacol boronic ester moiety. As a functionalized intermediate, it is primarily intended for research and development applications, particularly in organic synthesis.

Use Context

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

2-Cyano-3-fluoro-6-methylphenylboronic acid pinacol ester (CAS 2253959-58-7) is a versatile organoboron compound with the molecular formula C14H17BFNO2 and a molecular weight of 261.10. This compound features a phenyl ring substituted with a cyano group, a fluorine atom, a methyl group, and a pinacol boronic ester moiety. As a functionalized intermediate, it is primarily intended for research and development applications, particularly in organic synthesis. The boronic ester functionality allows for cross-coupling reactions, such as Suzuki-Miyaura coupling, while the cyano and fluoro groups offer additional sites for further chemical modifications or introduce specific electronic properties. Its structure suggests potential utility in the synthesis of complex molecules, including pharmaceuticals, agrochemicals, and materials science research.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

105.0 °C

Boiling Point

300.0 °C

Density

1.25 g/cm³

Water Solubility

Slightly soluble

Flash Point

170.0 °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, 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. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before handling.

Related Products / Graph Discovery

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

Similar products (text references)

1256358-94-7CAS 1256358-94-7

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.