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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.

Related Products / Graph Discovery

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

Related CAS / Similar Products

3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 945391-06-03-Chloro-5-cyanophenylboronic acid, pinacol esterCAS 1212021-11-82-Chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 548797-51-94-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 863868-30-82-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 2172654-65-6

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29319090GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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

Catalog navigation

Related catalog entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 2172654-65-62-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 548797-51-92-Chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 863868-30-84-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 945391-06-03-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 1212021-11-83-Chloro-5-cyanophenylboronic acid, pinacol esterCAS 1246632-86-95-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 1449475-29-92-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileCAS 863868-19-34-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile