Chemical Identity
Molecular Formula
C14H15BF3NO2
Molecular Weight
297.08 g/mol
Exact Mass
297.114793
PubChem CID
45933641
SMILES String
CC1(C)OB(c2ccc(C(F)(F)F)cc2C#N)OC1(C)C
Names & Synonyms
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External Identifiers
Catalog Overview
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile, identified by CAS 1073355-21-1, is an organoboron compound with the molecular formula C14H15BF3NO2 and a molecular weight of 297. 08. It incorporates a trifluoromethyl group and a pinacol boronate ester on a benzonitrile scaffold. This structure makes it a valuable functionalized intermediate in various synthetic routes, particularly in cross-coupling reactions like Suzuki-Miyaura coupling, for introducing both a cyano group and a trifluoromethylated aryl moiety.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile, identified by CAS 1073355-21-1, is an organoboron compound with the molecular formula C14H15BF3NO2 and a molecular weight of 297.08. It incorporates a trifluoromethyl group and a pinacol boronate ester on a benzonitrile scaffold. This structure makes it a valuable functionalized intermediate in various synthetic routes, particularly in cross-coupling reactions like Suzuki-Miyaura coupling, for introducing both a cyano group and a trifluoromethylated aryl moiety. Its pinacol boronate functionality provides a stable and reactive handle for further chemical transformations in research settings.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
white solid
Physical State
solid
Melting Point
119.0 °C
Boiling Point
288.0 °C
Density
1.4 g/cm³
Water Solubility
5.01 × 10⁻⁵ mol/L
Flash Point
160.0 °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. Avoid inhalation, ingestion, and skin contact. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures for research use.
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