Chemical Identity
Molecular Formula
C13H15BFNO2
Molecular Weight
247.07 g/mol
Exact Mass
247.117987
PubChem CID
46738194
SMILES String
CC1(C)OB(c2cc(F)cc(C#N)c2)OC1(C)C
Names & Synonyms
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External Identifiers
Catalog Overview
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, identified by CAS 935685-88-4, is a meticulously synthesized organic compound. Its structure incorporates a fluorinated benzene ring substituted with a cyano group and a pinacol boronate ester. The boronate ester moiety makes it highly reactive in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, allowing for the formation of new carbon-carbon bonds. The presence of both fluorine and nitrile groups offers unique electronic and steric properties, making it valuable for synthesizing complex molecules in medicinal chemistry,...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, identified by CAS 935685-88-4, is a meticulously synthesized organic compound. Its structure incorporates a fluorinated benzene ring substituted with a cyano group and a pinacol boronate ester. The boronate ester moiety makes it highly reactive in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, allowing for the formation of new carbon-carbon bonds. The presence of both fluorine and nitrile groups offers unique electronic and steric properties, making it valuable for synthesizing complex molecules in medicinal chemistry, agrochemistry, and materials science research. This compound is supplied for research and development purposes only.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white 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, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a 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.
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