Chemical Identity
Molecular Formula
C14H17BFNO2
Molecular Weight
261.1 g/mol
Exact Mass
261.133637
PubChem CID
100913436
IUPAC Name
2-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
SMILES String
CC1(C)OB(c2cc(CC#N)ccc2F)OC1(C)C
Names & Synonyms
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External Identifiers
Catalog Overview
2-[4-Fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile is a meticulously synthesized organic compound with the chemical formula C14H17BFNO2 and a molecular weight of 261. 10 g/mol. It incorporates a fluorinated phenyl ring, an acetonitrile group, and a boronic acid pinacol ester (Bpin) moiety. The Bpin group is highly valued in synthetic chemistry for its stability and reactivity in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-[4-Fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile is a meticulously synthesized organic compound with the chemical formula C14H17BFNO2 and a molecular weight of 261.10 g/mol. It incorporates a fluorinated phenyl ring, an acetonitrile group, and a boronic acid pinacol ester (Bpin) moiety. The Bpin group is highly valued in synthetic chemistry for its stability and reactivity in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling. The presence of fluorine can impart unique electronic and steric properties, influencing reaction selectivity and the biological activity of derived compounds. This makes it a valuable intermediate for researchers engaged in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline solid
Physical State
Solid
Melting Point
115.0 °C
Boiling Point
320.0 °C
Density
1.15 g/cm³
Water Solubility
Insoluble
Flash Point
185.0 °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 2-[4-Fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact. In case of contact, wash thoroughly with soap and water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and handling precautions.
Related Products / Graph Discovery
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