Chemical Identity
Molecular Formula
C14H17BFNO2
Molecular Weight
261.1 g/mol
Exact Mass
261.133637
PubChem CID
170773354
SMILES String
Cc1cc(F)c(C#N)cc1B1OC(C)(C)C(C)(C)O1
Names & Synonyms
External Identifiers
Catalog Overview
2-Fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzonitrile, identified by CAS 3028866-48-7, is a sophisticated organic compound with the molecular formula C14H17BFNO2 and a molecular weight of 261. 10. It incorporates a fluorine atom and a methyl group on a benzonitrile core, alongside a pinacol boronic ester moiety. This combination of functional groups makes it a valuable intermediate in synthetic chemistry.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-Fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzonitrile, identified by CAS 3028866-48-7, is a sophisticated organic compound with the molecular formula C14H17BFNO2 and a molecular weight of 261.10. It incorporates a fluorine atom and a methyl group on a benzonitrile core, alongside a pinacol boronic ester moiety. This combination of functional groups makes it a valuable intermediate in synthetic chemistry. The boronic ester group is highly reactive in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds with aryl halides or triflates. The benzonitrile unit provides a nitrile functional group, which can be further transformed, while the fluorine and methyl substituents offer opportunities for fine-tuning electronic and steric properties in target molecules. This compound is suitable for research and development applications requiring precise molecular construction.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
145.0 °C
Boiling Point
350.0 °C
Density
1.2 g/cm³
Water Solubility
Slightly soluble
Flash Point
190.0 °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 hazard information and safe handling procedures. This product is for research use only and not for human or animal therapeutic or diagnostic use.
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Catalog discovery cues, not supplier-verified claims.
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