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

CAS 2172654-65-6Formula C13H15BClNO2MW 263.53PubChem 133632138

2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a research-use chemical featuring a chlorobenzonitrile moiety and a pinacol boronate group, making it a versatile building block for various synthetic organic chemistry applications.

Loading RDKit molecule structure...
InChIKey: XYFXKWAXQFIFKJ-UHFFFAOYSA-NC13H15BClNO2 | MW 263.53

Chemical Identity

Molecular Formula

C13H15BClNO2

Molecular Weight

263.53 g/mol

Exact Mass

263.088437

PubChem CID

133632138

SMILES String

CC1(C)OB(c2cccc(C#N)c2Cl)OC1(C)C

Names & Synonyms

CC1(C)OB(OC1(C)C)C1=CC=CC(C#N)=C1ClG68337F7614622-chloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
External Identifiers
MFCD18729915SCHEMBL19785357DB-149397CS-0378912EN300-1706431

Catalog Overview

2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS 2172654-65-6, is a highly functionalized organic compound. It incorporates a chlorine atom and a nitrile group on a benzene ring, alongside a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) substituent. This unique combination of functional groups makes it a valuable intermediate in the synthesis of complex organic molecules, particularly in cross-coupling reactions such as Suzuki-Miyaura coupling, where the boronate acts as a nucleophilic coupling partner. Its structure allows for further derivatization at multiple positions, enabling...

Use Context

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

2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS 2172654-65-6, is a highly functionalized organic compound. It incorporates a chlorine atom and a nitrile group on a benzene ring, alongside a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) substituent. This unique combination of functional groups makes it a valuable intermediate in the synthesis of complex organic molecules, particularly in cross-coupling reactions such as Suzuki-Miyaura coupling, where the boronate acts as a nucleophilic coupling partner. Its structure allows for further derivatization at multiple positions, enabling the creation of diverse chemical scaffolds for drug discovery and materials science research.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

100.0 °C

Boiling Point

350.0 °C

Density

1.2 g/cm³

Water Solubility

Insoluble

Flash Point

185.0 °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 2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.

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.