Chemical Identity
Molecular Formula
C14H15BF3NO2
Molecular Weight
297.08 g/mol
Exact Mass
297.114793
PubChem CID
56973107
SMILES String
CC1(C)OB(c2cc(C(F)(F)F)ccc2C#N)OC1(C)C
Names & Synonyms
Show all synonyms
External Identifiers
Catalog Overview
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile is a sophisticated organic intermediate characterized by a trifluoromethyl group and a nitrile functionality on a benzene ring, along with a pinacol boronic ester substituent. The boronic ester moiety makes it highly valuable in Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds with aryl halides or triflates. The trifluoromethyl group introduces unique electronic and steric properties, often enhancing chemical stability, lipophilicity, and biological activity in derived compounds. The nitrile group can be...
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)-4-(trifluoromethyl)benzonitrile is a sophisticated organic intermediate characterized by a trifluoromethyl group and a nitrile functionality on a benzene ring, along with a pinacol boronic ester substituent. The boronic ester moiety makes it highly valuable in Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds with aryl halides or triflates. The trifluoromethyl group introduces unique electronic and steric properties, often enhancing chemical stability, lipophilicity, and biological activity in derived compounds. The nitrile group can be further transformed into various other functional groups, adding to its synthetic utility. This compound is primarily used in research and development for synthesizing complex organic molecules, including potential pharmaceutical candidates and advanced materials.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline solid
Physical State
Solid
Melting Point
119.0 °C
Boiling Point
288.0 °C
Density
1.35 g/cm³
Water Solubility
5.01 × 10⁻⁵ 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 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 comprehensive safety information before use.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related CAS / Similar Products
Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
Compliance cues are non-linked reference tags and require shipment review.