Chemical Identity
Molecular Formula
C13H15BFNO2
Molecular Weight
247.07 g/mol
Exact Mass
247.117987
PubChem CID
51350951
SMILES String
CC1(C)OB(c2ccc(C#N)c(F)c2)OC1(C)C
Names & Synonyms
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External Identifiers
Catalog Overview
2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS 870238-67-8, is a valuable research chemical classified as a functionalized intermediate. It combines a fluorinated benzonitrile core with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group. This boronate ester functionality makes it highly reactive in various palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The presence of both a fluorine atom and a nitrile group on the benzene ring provides additional synthetic handles and can influence the...
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2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS 870238-67-8, is a valuable research chemical classified as a functionalized intermediate. It combines a fluorinated benzonitrile core with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group. This boronate ester functionality makes it highly reactive in various palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The presence of both a fluorine atom and a nitrile group on the benzene ring provides additional synthetic handles and can influence the electronic properties of target molecules. Researchers utilize this compound for synthesizing complex organic molecules, pharmaceuticals, and materials science applications where precise structural modifications and the introduction of fluorinated aryl moieties are required.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
white solid
Physical State
solid
Melting Point
47.0 °C
Boiling Point
272.0 °C
Density
1.2 g/cm³
Water Solubility
1.32 × 10⁻³ mol/L
Flash Point
120.0 °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 product is for research use only and not for human or animal therapeutic or diagnostic use.
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.