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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.

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