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1-[3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanecarbonitrile

CAS 917397-94-5Formula C16H19BFNO2MW 287.1PubChem 69074412

This is a fluorinated phenylcyclopropanecarbonitrile derivative featuring a pinacol boronic ester group, making it a versatile building block for Suzuki-Miyaura cross-coupling reactions in organic synthesis for research purposes.

Loading RDKit molecule structure...
InChIKey: TZNIMHCBELUQIQ-UHFFFAOYSA-NC16H19BFNO2 | MW 287.1

Chemical Identity

Molecular Formula

C16H19BFNO2

Molecular Weight

287.1 g/mol

Exact Mass

287.149287

PubChem CID

69074412

IUPAC Name

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

SMILES String

CC1(C)OB(c2ccc(C3(C#N)CC3)cc2F)OC1(C)C

Names & Synonyms

1-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropane-1-carbonitrileC16H19BFNO24-(1-Cyanocyclopropyl)-2-fluorobenzeneboronic acid pinacol esterCyclopropanecarbonitrile,1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-TZNIMHCBELUQIQ-UHFFFAOYSA-N
Show all synonyms
F72882F867826Cyclopropanecarbonitrile, 1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
External Identifiers
MFCD22418790SCHEMBL4513495DB-132621

Catalog Overview

1-[3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanecarbonitrile (CAS 917397-94-5) is a complex organic compound characterized by a fluorinated phenyl ring substituted with both a cyclopropanecarbonitrile moiety and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronic ester) group. With a molecular formula of C16H19BFNO2, this compound serves as a valuable intermediate in the synthesis of more complex molecules, particularly in pharmaceutical and agrochemical research, where the boronic ester allows for efficient carbon-carbon bond formation.

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

110.0 °C

Boiling Point

350.0 °C

Density

1.2 g/cm³

Water Solubility

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) in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin or eye contact. Store in a cool, dry place, away from incompatible materials. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures before handling this research-use chemical.

Related Products / Graph Discovery

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

Related CAS / Similar Products

1-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropane-1-carbonitrileCAS 2227365-42-45-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridineCAS 917969-86-94-Cyano-3-fluorophenyl trans-4-ethylcyclohexanecarboxylateCAS 90525-56-7tert-butyl N-(2-iodoethyl)-N-methylcarbamateCAS 918642-21-4

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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

Related catalog entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 2227365-42-41-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropane-1-carbonitrileCAS 1128269-66-82-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-5-(trifluoromethyl)pyridineCAS 1818210-26-22-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2-methylpropanenitrileCAS 1971914-58-52-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridineCAS 1984826-57-43-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridineCAS 2223041-77-62-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridineCAS 2223054-08-6Pyridine, 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-CAS 2710289-82-86-Fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine