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5-Fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzonitrile

CAS 1192023-08-7Formula C14H17BFNO2MW 261.1PubChem 53217167

This compound is a fluorinated, methylated benzonitrile derivative featuring a pinacol boronate ester group. It is primarily used as a building block in organic synthesis for research purposes.

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

Chemical Identity

Molecular Formula

C14H17BFNO2

Molecular Weight

261.1 g/mol

Exact Mass

261.133637

PubChem CID

53217167

SMILES String

Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1C#N

Names & Synonyms

4-cyano-2-fluoro-5-methylphenylboronic acid, pinacol esterBenzonitrile, 5-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-Cyano-2-fluoro-5-methylphenylboronic acid pinacol esterF216130
External Identifiers
MFCD12405378SCHEMBL31239572DTXSID40682268AKOS015999641AT17121BS-19496DB-061535CS-0174777

Catalog Overview

5-Fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzonitrile is an organic compound with the molecular formula C14H17BFNO2 and a molecular weight of 261.10 g/mol. It features a fluorinated and methylated benzonitrile core, substituted with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate ester) group. This structure makes it a versatile intermediate for various cross-coupling reactions, particularly Suzuki-Miyaura coupling, in the synthesis of complex organic molecules for research purposes.

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 crystalline powder

Physical State

Solid

Melting Point

47.0 °C

Boiling Point

313.0 °C

Density

1.3 g/cm³

Water Solubility

2.82 × 10⁻⁴ mol/L

Flash Point

155.0 °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 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. Refer to the Safety Data Sheet (SDS) for detailed safety information. For research use only.

Related Products / Graph Discovery

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

Similar products (text references)

2-[4-Fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrileCAS 1637543-22-6
2-Cyano-3-fluoro-6-methylphenylboronic acid pinacol esterCAS 2253959-58-7
2-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrileCAS 2673219-64-0
2-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrileCAS 1220219-61-3
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: 293190GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.