Chemical Identity
Molecular Formula
C14H17BFNO2
Molecular Weight
261.1 g/mol
Exact Mass
261.133637
PubChem CID
59535051
IUPAC Name
2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
SMILES String
CC1(C)OB(c2ccc(F)c(CC#N)c2)OC1(C)C
Names & Synonyms
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External Identifiers
Catalog Overview
2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile, with CAS number 1220219-51-1, is a meticulously synthesized organic compound designed for advanced chemical research. Its structure incorporates a 2-fluoro-5-cyanomethylphenyl core, functionalized with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronic ester) group. This unique combination makes it a highly valuable intermediate in the synthesis of complex molecules. The pinacol boronic ester group is particularly useful for palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, allowing for the formation of new...
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Read more catalog context
2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile, with CAS number 1220219-51-1, is a meticulously synthesized organic compound designed for advanced chemical research. Its structure incorporates a 2-fluoro-5-cyanomethylphenyl core, functionalized with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronic ester) group. This unique combination makes it a highly valuable intermediate in the synthesis of complex molecules. The pinacol boronic ester group is particularly useful for palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, allowing for the formation of new carbon-carbon bonds with high efficiency and selectivity. The presence of a fluorine atom and a nitrile group further expands its synthetic utility, offering opportunities for diverse chemical transformations and the creation of novel compounds with potential applications in medicinal chemistry, materials science, and agrochemicals. This product is strictly for research and development purposes.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
white crystalline solid
Physical State
solid
Melting Point
47.0 °C
Boiling Point
313.0 °C
Density
1.25 g/cm³
Water Solubility
5.13 × 10⁻⁴ mol/L
Flash Point
165.0 °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 chemical is for research use only and not for human or animal therapeutic or diagnostic use.
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