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

CAS 1073355-21-1Formula C14H15BF3NO2MW 297.08PubChem 45933641

This compound is a functionalized intermediate featuring a benzonitrile core substituted with a trifluoromethyl group and a pinacol boronate ester. It is primarily used in organic synthesis as a versatile building block for research applications.

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

Chemical Identity

Molecular Formula

C14H15BF3NO2

Molecular Weight

297.08 g/mol

Exact Mass

297.114793

PubChem CID

45933641

SMILES String

CC1(C)OB(c2ccc(C(F)(F)F)cc2C#N)OC1(C)C

Names & Synonyms

2-CYANO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID PINACOL ESTERC14H15BF3NO22-(tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrileOINNEFWMBQNRSL-UHFFFAOYSA-NF228484
Show all synonyms
Z20497571765-(Trifluoromethyl)benzonitrile-2-boronic acid pinacol ester
External Identifiers
MFCD09878539SCHEMBL15011822DTXSID10672873AKOS016004702AB53938NCGC00662581-01AS-49760SY065363DB-422032CS-0044873EN300-1719976

Catalog Overview

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile, identified by CAS 1073355-21-1, is an organoboron compound with the molecular formula C14H15BF3NO2 and a molecular weight of 297. 08. It incorporates a trifluoromethyl group and a pinacol boronate ester on a benzonitrile scaffold. This structure makes it a valuable functionalized intermediate in various synthetic routes, particularly in cross-coupling reactions like Suzuki-Miyaura coupling, for introducing both a cyano group and a trifluoromethylated aryl moiety.

Use Context

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

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile, identified by CAS 1073355-21-1, is an organoboron compound with the molecular formula C14H15BF3NO2 and a molecular weight of 297.08. It incorporates a trifluoromethyl group and a pinacol boronate ester on a benzonitrile scaffold. This structure makes it a valuable functionalized intermediate in various synthetic routes, particularly in cross-coupling reactions like Suzuki-Miyaura coupling, for introducing both a cyano group and a trifluoromethylated aryl moiety. Its pinacol boronate functionality provides a stable and reactive handle for further chemical transformations in research settings.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

119.0 °C

Boiling Point

288.0 °C

Density

1.4 g/cm³

Water Solubility

5.01 × 10⁻⁵ mol/L

Flash Point

160.0 °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. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures for research 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.