Chemical Identity
Molecular Formula
C13H15BFNO2
Molecular Weight
247.07 g/mol
Exact Mass
247.117987
PubChem CID
22273603
IUPAC Name
2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
SMILES String
CC1(C)OB(c2cccc(F)c2C#N)OC1(C)C
Names & Synonyms
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External Identifiers
Catalog Overview
2-Cyano-3-fluorophenylboronic acid pinacol ester, with CAS 765916-91-4 and molecular formula C13H15BFNO2, is a highly functionalized arylboronic acid pinacol ester. This compound incorporates a cyano group, a fluorine atom, and a pinacol boronic ester moiety on a benzene ring. The pinacol boronic ester group provides enhanced stability and ease of handling compared to free boronic acids, making it a preferred reagent for various synthetic transformations. It serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials science research, enabling the introduction of a 2-cyano-3-fluorophenyl group...
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- Research chemical sourcing
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- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-Cyano-3-fluorophenylboronic acid pinacol ester, with CAS 765916-91-4 and molecular formula C13H15BFNO2, is a highly functionalized arylboronic acid pinacol ester. This compound incorporates a cyano group, a fluorine atom, and a pinacol boronic ester moiety on a benzene ring. The pinacol boronic ester group provides enhanced stability and ease of handling compared to free boronic acids, making it a preferred reagent for various synthetic transformations. It serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials science research, enabling the introduction of a 2-cyano-3-fluorophenyl group into target molecules. Its utility is particularly prominent in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, for forming carbon-carbon bonds.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
white crystalline solid
Physical State
solid
Melting Point
47.0 °C
Boiling Point
272.0 °C
Density
1.25 g/cm³
Water Solubility
1.32 × 10⁻³ mol/L
Flash Point
135.0 °C
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary safety-style information for reference only. Not a supplier SDS.
Handling and Storage
- Handle with appropriate personal protective equipment (PPE) 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 hazard information and safe handling procedures. This chemical is for research use only and not for human or animal consumption.
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