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

CAS 2113610-44-7Formula C10H17BClNO2MW 229.51PubChem 155822014

4-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile is a functionalized intermediate featuring both a pinacol boronate and a chloronitrile group. It is primarily used in research and development as a versatile building block for complex organic synthesis.

Loading RDKit molecule structure...
InChIKey: IILSKAVBMPAGON-UHFFFAOYSA-NC10H17BClNO2 | MW 229.51

Chemical Identity

Molecular Formula

C10H17BClNO2

Molecular Weight

229.51 g/mol

Exact Mass

229.104087

PubChem CID

155822014

SMILES String

CC1(C)OB(C(Cl)CCC#N)OC1(C)C

Names & Synonyms

Z4636912583
External Identifiers
EN300-27145746

Catalog Overview

4-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile, identified by CAS 2113610-44-7, is an organoboron compound containing a nitrile and a chlorine atom. Its molecular formula is C10H17BClNO2 and its molecular weight is approximately 229. 51 g/mol. The presence of the 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group makes it suitable for various cross-coupling reactions, such as Suzuki-Miyaura coupling, while the chloro and nitrile functionalities offer additional sites for further chemical transformations.

Use Context

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

4-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile, identified by CAS 2113610-44-7, is an organoboron compound containing a nitrile and a chlorine atom. Its molecular formula is C10H17BClNO2 and its molecular weight is approximately 229.51 g/mol. The presence of the 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group makes it suitable for various cross-coupling reactions, such as Suzuki-Miyaura coupling, while the chloro and nitrile functionalities offer additional sites for further chemical transformations. This compound serves as a valuable intermediate in the synthesis of more complex molecules within academic and industrial research settings.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless liquid

Physical State

Liquid

Melting Point

5.0 °C

Boiling Point

275.0 °C

Density

1.15 g/cm³

Water Solubility

Insoluble

Flash Point

105.0 °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 4-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact. In case of contact, wash thoroughly with 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.

Similar products (text references)

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34337-20-7CAS 34337-20-7
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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.