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Formula C14H16BF2NO2MW 279.09Research-use catalog entryCOA/SDS by request

CAS 1220696-59-2

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

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InChIKey: OHECEKWRPPLHPJ-UHFFFAOYSA-NC14H16BF2NO2 | MW 279.09

Chemical Absolute Identifiers

CAS Number

1220696-59-2

PubChem CID

59535357

Molecular Formula

C14H16BF2NO2

Molecular Weight

279.09 g/mol

Exact Mass

279.124215

InChIKey

OHECEKWRPPLHPJ-UHFFFAOYSA-N

SMILES String

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

Physical Properties

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

87.0 °C

Boiling Point

288.0 °C

Density

1.35 g/cm³

Water Solubility

1.51 × 10⁻⁴ mol/L

Flash Point

135.0 °C

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

This is a difluoromethylated benzonitrile derivative featuring a boronic ester (pinacolborane) group. It serves as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling...

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Primarily used as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions to introduce difluoromethylated aryl groups into complex molecular structures for research...

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Research intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

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. This product is for research use only and not for human or animal therapeutic or diagnostic use.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

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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.

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