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

CAS 463335-96-8Formula C13H15BFNO2MW 247.07PubChem 22180788

A fluorinated benzonitrile derivative featuring a pinacol boronate ester, primarily used as a versatile building block in organic synthesis for research applications.

Loading RDKit molecule structure...
InChIKey: ZULLJYIMHRJPQA-UHFFFAOYSA-NC13H15BFNO2 | MW 247.07

Chemical Identity

Molecular Formula

C13H15BFNO2

Molecular Weight

247.07 g/mol

Exact Mass

247.117987

PubChem CID

22180788

SMILES String

CC1(C)OB(c2cc(F)ccc2C#N)OC1(C)C

Names & Synonyms

970-497-52-CYANO-5-FLUOROPHENYLBORONIC ACID PINACOL ESTER2-Cyano-5-fluorophenylboronic acid, pinacol esterZULLJYIMHRJPQA-UHFFFAOYSA-N4-fluoro-2-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-benzonitrile
Show all synonyms
BENZONITRILE, 4-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-F14655Z17417981964-Fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl }benzonitrile4-Fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile4-fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile4-FLUORO-2-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE4-fluoro-2-(4,4,5,5-tetramethyl- [1,3,2] dioxaborolan-2-yl) -benzonitrile
External Identifiers
DTXSID40623313RefChem:292755DTXCID30574067MFCD09878540SCHEMBL2645798SCHEMBL29929462AKOS015842127AB53941NCGC00662950-01AS-47613DB-364995CS-0135365EN300-156269

Catalog Overview

4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a chemical compound characterized by a fluorinated benzene ring substituted with both a nitrile group and a pinacol boronate ester. This bifunctional structure makes it a valuable intermediate in synthetic organic chemistry, particularly for constructing complex molecules through cross-coupling reactions like the Suzuki-Miyaura coupling, and for introducing cyano and fluoro functionalities into target compounds 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 solid

Physical State

solid

Melting Point

47.0 °C

Boiling Point

272.0 °C

Density

1.25 g/cm³

Water Solubility

1.32 × 10⁻³ mol/L

Flash Point

125.0 °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, 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 thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information.

Related Products / Graph Discovery

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

Similar products (text references)

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 870238-67-8
3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 1035235-29-0
2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 775351-57-0
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 935685-88-4
5-Fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 461451-63-8

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293499GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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