Chemical Identity
Molecular Formula
C14H15BF3NO2
Molecular Weight
297.08 g/mol
Exact Mass
297.114793
PubChem CID
86699037
SMILES String
CC1(C)OB(c2ccc(C#N)cc2C(F)(F)F)OC1(C)C
Names & Synonyms
External Identifiers
Catalog Overview
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzonitrile is a highly functionalized organic compound featuring a benzonitrile core substituted with both a trifluoromethyl group and a pinacol boronate ester. The trifluoromethyl group is a strong electron-withdrawing moiety, influencing the electronic properties and reactivity of the aromatic ring. The nitrile group serves as a versatile synthetic handle, capable of undergoing various transformations. Most notably, the pinacol boronate ester provides a robust and widely utilized platform for carbon-carbon bond formation, particularly in Suzuki-Miyaura...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzonitrile is a highly functionalized organic compound featuring a benzonitrile core substituted with both a trifluoromethyl group and a pinacol boronate ester. The trifluoromethyl group is a strong electron-withdrawing moiety, influencing the electronic properties and reactivity of the aromatic ring. The nitrile group serves as a versatile synthetic handle, capable of undergoing various transformations. Most notably, the pinacol boronate ester provides a robust and widely utilized platform for carbon-carbon bond formation, particularly in Suzuki-Miyaura cross-coupling reactions. This combination of functional groups makes it a valuable building block in complex organic synthesis, especially in medicinal chemistry and materials science for the construction of novel molecular architectures.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
130.0 °C
Boiling Point
410.0 °C
Density
1.35 g/cm³
Water Solubility
Insoluble
Flash Point
220.0 °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 a fume hood to avoid inhalation. Prevent contact with skin and eyes. Do not ingest. In case of contact, rinse immediately with plenty of water and seek medical advice. Store in a cool, dry, and well-sealed container away from incompatible materials. Dispose of waste according to local regulations.
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.