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3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile

CAS 479411-95-5Formula C14H15BF3NO2MW 297.08PubChem 11208698

This compound is a trifluoromethylated benzonitrile derivative featuring a pinacol boronic ester group. It serves as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions, enabling the introduction of trifluoromethyl and cyano functionalities into target molecules for research purposes.

Loading RDKit molecule structure...
InChIKey: PDRFNTUDMWZDSL-UHFFFAOYSA-NC14H15BF3NO2 | MW 297.08

Chemical Identity

Molecular Formula

C14H15BF3NO2

Molecular Weight

297.08 g/mol

Exact Mass

297.114793

PubChem CID

11208698

SMILES String

CC1(C)OB(c2cc(C#N)cc(C(F)(F)F)c2)OC1(C)C

Names & Synonyms

(3-cyano-5-(trifluoromethyl)phenyl)boronic acid pinacol esterF218541Z20447445643-Cyano-5-(trifluoromethyl)phenylboronic Acid Pinacol Ester3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-5-(TRIFLUOROMETHYL)BENZONITRILE
Show all synonyms
3-Trifluoromethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
External Identifiers
DTXSID60458861RefChem:274273DTXCID50409680MFCD12405369SCHEMBL7949625AKOS016001157AS-42776SY239885DB-294494CS-0175572EN300-7375516

Catalog Overview

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile, identified by CAS 479411-95-5, is a sophisticated organic compound designed for research applications. It features a trifluoromethyl group, a cyano group, and a pinacol boronic ester moiety attached to a benzene ring. This strategic arrangement of functional groups makes it an exceptionally versatile chemical intermediate. Researchers can leverage the boronic ester for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds.

Use Context

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

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile, identified by CAS 479411-95-5, is a sophisticated organic compound designed for research applications. It features a trifluoromethyl group, a cyano group, and a pinacol boronic ester moiety attached to a benzene ring. This strategic arrangement of functional groups makes it an exceptionally versatile chemical intermediate. Researchers can leverage the boronic ester for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The trifluoromethyl and cyano groups provide distinct electronic and steric properties, allowing for precise modification and fine-tuning of molecular characteristics in the synthesis of complex molecules, particularly relevant in medicinal chemistry, agrochemical development, and advanced materials research.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline solid

Physical State

solid

Melting Point

119.0 °C

Boiling Point

288.0 °C

Density

1.3 g/cm³

Water Solubility

5.01 × 10⁻⁵ mol/L

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
  • Always handle 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile in a well-ventilated area or a chemical fume hood. Wear appropriate personal protective equipment, including chemical-resistant gloves, safety goggles or a face shield, and a lab coat. Avoid inhalation of dust or vapors and prevent contact with skin and eyes. In case of exposure, rinse immediately with plenty of water and seek medical advice. Store the compound in a cool, dry place, tightly sealed, and away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures before use.

Related Products / Graph Discovery

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

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.