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(3-Cyano-2-fluoro-4-(trifluoromethyl)phenyl)boronic acid

CAS 1338229-42-7Formula C8H4BF4NO2MW 232.93PubChem 118990208

(3-Cyano-2-fluoro-4-(trifluoromethyl)phenyl)boronic acid is a highly functionalized arylboronic acid, featuring cyano, fluoro, and trifluoromethyl groups on a phenyl ring. It serves as a versatile building block in organic synthesis for research purposes.

Loading RDKit molecule structure...
InChIKey: DBQYWDIDRLYABN-UHFFFAOYSA-NC8H4BF4NO2 | MW 232.93

Chemical Identity

Molecular Formula

C8H4BF4NO2

Molecular Weight

232.93 g/mol

Exact Mass

233.027121

PubChem CID

118990208

IUPAC Name

[3-cyano-2-fluoro-4-(trifluoromethyl)phenyl]boronic acid

SMILES String

N#Cc1c(C(F)(F)F)ccc(B(O)O)c1F

Names & Synonyms

3-Cyano-2-fluoro-4-(trifluoromethyl)phenylboronic Acid(3-Cyano-2-fluoro-4-(trifluoromethyl)phenyl)boronicacid
External Identifiers
MFCD23380873SY038139

Catalog Overview

This compound, (3-Cyano-2-fluoro-4-(trifluoromethyl)phenyl)boronic acid, is a sophisticated arylboronic acid derivative. Its structure incorporates a phenyl ring substituted with a cyano group, a fluorine atom, and a trifluoromethyl group, alongside the characteristic boronic acid moiety. This combination of functional groups makes it a valuable and reactive intermediate for various synthetic transformations, particularly in cross-coupling reactions like the Suzuki-Miyaura coupling, where it can introduce complex aryl fragments into target molecules. Its unique substitution pattern can influence reactivity and selectivity in...

Use Context

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

This compound, (3-Cyano-2-fluoro-4-(trifluoromethyl)phenyl)boronic acid, is a sophisticated arylboronic acid derivative. Its structure incorporates a phenyl ring substituted with a cyano group, a fluorine atom, and a trifluoromethyl group, alongside the characteristic boronic acid moiety. This combination of functional groups makes it a valuable and reactive intermediate for various synthetic transformations, particularly in cross-coupling reactions like the Suzuki-Miyaura coupling, where it can introduce complex aryl fragments into target molecules. Its unique substitution pattern can influence reactivity and selectivity in chemical reactions, making it suitable for advanced research in medicinal chemistry, agrochemistry, and materials science.

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

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

220.0 °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. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place away from incompatible materials.

Related Products / Graph Discovery

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

Similar products (text references)

1704074-40-7CAS 1704074-40-7
2828444-03-5CAS 2828444-03-5
1384429-35-9CAS 1384429-35-9
871125-73-4CAS 871125-73-4

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.