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2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS 1449475-29-9Formula C13H15BClNO2MW 263.53PubChem 74789414

2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a functionalized intermediate featuring a chlorobenzonitrile core and a pinacol boronate ester group. It is primarily used in organic synthesis as a versatile building block, particularly in Suzuki-Miyaura cross-coupling reactions. For research use only.

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

Chemical Identity

Molecular Formula

C13H15BClNO2

Molecular Weight

263.53 g/mol

Exact Mass

263.088437

PubChem CID

74789414

SMILES String

CC1(C)OB(c2cccc(Cl)c2C#N)OC1(C)C

Names & Synonyms

108-089-92-Chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile2-?Chloro-?6-?(tetramethyl-?1,?3,?2-?dioxaborolan-?2-?yl)?benzonitrileD71829F694179
Show all synonyms
2-Chloro-1-cyanobenzene-6-boronic Acid Pinacol Ester
External Identifiers
RefChem:469524MFCD18729917SCHEMBL15156866BS-30942CS-0175495

Catalog Overview

2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organoboron compound characterized by a chlorinated benzonitrile core and a pinacol boronate ester substituent. With a molecular formula of C13H15BClNO2 and a molecular weight of 263. 53, this compound serves as a key functionalized intermediate in various synthetic routes. The boronate ester group makes it particularly useful in Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds.

Use Context

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

2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organoboron compound characterized by a chlorinated benzonitrile core and a pinacol boronate ester substituent. With a molecular formula of C13H15BClNO2 and a molecular weight of 263.53, this compound serves as a key functionalized intermediate in various synthetic routes. The boronate ester group makes it particularly useful in Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The presence of the nitrile and chloro groups offers additional handles for further chemical transformations, making it a valuable reagent for constructing complex organic molecules in research and development settings. This product is for research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

105.0 °C

Boiling Point

320.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble to insoluble

Flash Point

170.0 °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 immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

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.