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2-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile

CAS 2673219-64-0Formula C14H17BFNO2MW 261.1PubChem 100913439

This compound is a fluorinated phenylacetonitrile derivative featuring a pinacol boronate ester group. It serves as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions, enabling the introduction of complex arylacetonitrile moieties into target molecules for research purposes.

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

Chemical Identity

Molecular Formula

C14H17BFNO2

Molecular Weight

261.1 g/mol

Exact Mass

261.133637

PubChem CID

100913439

IUPAC Name

2-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile

SMILES String

CC1(C)OB(c2ccc(CC#N)cc2F)OC1(C)C

Names & Synonyms

2-[3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrileH49860F568379
External Identifiers
SCHEMBL23692938EN300-12602973

Catalog Overview

2-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile, identified by CAS 2673219-64-0, is a meticulously designed organic intermediate. Its structure incorporates a 3-fluoro-4-boronated phenyl group linked to an acetonitrile moiety. The pinacol boronate ester is a robust and widely utilized functional group in synthetic chemistry, known for its stability and reactivity in various coupling reactions. The presence of fluorine adds a unique electronic and steric profile, which can influence reaction outcomes and the properties of final compounds.

Use Context

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

2-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile, identified by CAS 2673219-64-0, is a meticulously designed organic intermediate. Its structure incorporates a 3-fluoro-4-boronated phenyl group linked to an acetonitrile moiety. The pinacol boronate ester is a robust and widely utilized functional group in synthetic chemistry, known for its stability and reactivity in various coupling reactions. The presence of fluorine adds a unique electronic and steric profile, which can influence reaction outcomes and the properties of final compounds. This compound is primarily intended for research and development applications, offering a strategic entry point for synthesizing novel chemical entities.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

105.0 °C

Boiling Point

300.0 °C

Density

1.2 g/cm³

Water Solubility

Slightly soluble to insoluble

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 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 use. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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: 29319090GHS 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.