Chemical Identity
Molecular Formula
C14H17BFNO2
Molecular Weight
261.1 g/mol
Exact Mass
261.133637
PubChem CID
125469059
SMILES String
Cc1cc(C#N)c(F)cc1B1OC(C)(C)C(C)(C)O1
Names & Synonyms
External Identifiers
Catalog Overview
2-Fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organic compound characterized by a fluorinated and methylated benzonitrile core, substituted with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group. With a molecular formula of C14H17BFNO2 and a molecular weight of 261. 10, this compound serves as a valuable functionalized intermediate. The pinacol boronate moiety makes it highly reactive in Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-Fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organic compound characterized by a fluorinated and methylated benzonitrile core, substituted with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group. With a molecular formula of C14H17BFNO2 and a molecular weight of 261.10, this compound serves as a valuable functionalized intermediate. The pinacol boronate moiety makes it highly reactive in Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The presence of fluorine and a nitrile group also offers opportunities for further derivatization and introduces specific electronic and steric properties, making it useful in the synthesis of complex molecules for pharmaceutical and agrochemical research.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
110.0 °C
Boiling Point
400.0 °C
Density
1.25 g/cm³
Water Solubility
Slightly soluble
Flash Point
230.0 °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 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.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related products and analog discovery will be available as catalog graph data is expanded.