Active Chemical RecordCatalog PreviewCatalog ready

3-Chloro-5-cyanophenylboronic acid, pinacol ester

CAS 1212021-11-8Formula C13H15BClNO2MW 263.53PubChem 53217129

3-Chloro-5-cyanophenylboronic acid, pinacol ester is a functionalized intermediate valuable in organic synthesis. It features a boronic ester, a chloro group, and a cyano group on a phenyl ring, making it suitable for cross-coupling reactions like Suzuki-Miyaura coupling and as a versatile building block for complex molecule synthesis in research applications.

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

Chemical Identity

Molecular Formula

C13H15BClNO2

Molecular Weight

263.53 g/mol

Exact Mass

263.088437

PubChem CID

53217129

IUPAC Name

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

SMILES String

CC1(C)OB(c2cc(Cl)cc(C#N)c2)OC1(C)C

Names & Synonyms

804-823-33-Chloro-5-cyanophenylboronic acid pinacol esterAAZQJHZPPYLORA-UHFFFAOYSA-NF215949Z2044811647
Show all synonyms
3-CHLORO-5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE3-chloranyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile
External Identifiers
RefChem:500122MFCD16659095SCHEMBL28779DTXSID70682231AKOS015999637MB14976BS-26483SY267878DB-356980CS-0146634EN300-1706412

Catalog Overview

3-Chloro-5-cyanophenylboronic acid, pinacol ester (CAS: 1212021-11-8) is an organoboron compound featuring a phenyl ring substituted with a chloro group, a cyano group, and a pinacol boronic ester. With a molecular formula of C13H15BClNO2 and a molecular weight of 263. 53, this compound serves as a versatile building block in synthetic organic chemistry. The pinacol ester protects the boronic acid, enhancing its stability and ease of handling, while the chloro and cyano 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

3-Chloro-5-cyanophenylboronic acid, pinacol ester (CAS: 1212021-11-8) is an organoboron compound featuring a phenyl ring substituted with a chloro group, a cyano group, and a pinacol boronic ester. With a molecular formula of C13H15BClNO2 and a molecular weight of 263.53, this compound serves as a versatile building block in synthetic organic chemistry. The pinacol ester protects the boronic acid, enhancing its stability and ease of handling, while the chloro and cyano functionalities offer additional sites for further chemical transformations. It is primarily utilized as a functionalized intermediate in the synthesis of complex molecules for research purposes.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-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

165.0 °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
  • When handling 3-Chloro-5-cyanophenylboronic acid, pinacol ester, researchers should: Wear appropriate PPE, including safety goggles, gloves, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation exposure. Avoid contact with skin and eyes; in case of contact, rinse immediately with plenty of water and seek medical advice. Avoid ingestion and inhalation. Store properly, keeping the container tightly closed in a cool, dry place, away from incompatible materials. Handle with care, as with many organic reagents, it may cause irritation. Consult the Safety Data Sheet (SDS) for detailed hazard information and precautions.

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.