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

CAS 1165935-87-4Formula C13H15BClNO2MW 263.53PubChem 75537246

This compound is a chlorobenzonitrile derivative featuring a pinacol boronate ester group. It is primarily used as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions.

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

Chemical Identity

Molecular Formula

C13H15BClNO2

Molecular Weight

263.53 g/mol

Exact Mass

263.088437

PubChem CID

75537246

SMILES String

CC1(C)OB(c2ccc(Cl)c(C#N)c2)OC1(C)C

Names & Synonyms

4-CHLORO-3-CYANOPHENYLBORONIC ACID, PINACOL ESTER4-Chloro-3-cyanophenylboronic acid pinacol esterF618322Z32445223612-CHLORO-5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
External Identifiers
MFCD18730485SCHEMBL18497270DTXSID601160079AKOS025293564BS-26264CS-0120206EN300-1706485

Catalog Overview

2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS 1165935-87-4, is a highly functionalized organic intermediate. It combines a chlorobenzene core with a nitrile group and a pinacol boronate ester. The pinacol boronate group is a robust and widely utilized moiety in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The presence of both a chlorine atom and a nitrile group offers additional handles for further chemical transformations, making this compound valuable in the synthesis of complex 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 solid

Physical State

solid

Melting Point

56.0 °C

Boiling Point

307.0 °C

Density

1.3 g/cm³

Water Solubility

2.82 × 10⁻⁴ mol/L

Flash Point

175.0 °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
  • For research use only. 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 handling.

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