Chemical Identity
Molecular Formula
C14H15BF3NO2
Molecular Weight
297.08 g/mol
Exact Mass
297.114793
PubChem CID
11208698
SMILES String
CC1(C)OB(c2cc(C#N)cc(C(F)(F)F)c2)OC1(C)C
Names & Synonyms
Show all synonyms
External Identifiers
Catalog Overview
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile, identified by CAS 479411-95-5, is a sophisticated organic compound designed for research applications. It features a trifluoromethyl group, a cyano group, and a pinacol boronic ester moiety attached to a benzene ring. This strategic arrangement of functional groups makes it an exceptionally versatile chemical intermediate. Researchers can leverage the boronic ester for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile, identified by CAS 479411-95-5, is a sophisticated organic compound designed for research applications. It features a trifluoromethyl group, a cyano group, and a pinacol boronic ester moiety attached to a benzene ring. This strategic arrangement of functional groups makes it an exceptionally versatile chemical intermediate. Researchers can leverage the boronic ester for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The trifluoromethyl and cyano groups provide distinct electronic and steric properties, allowing for precise modification and fine-tuning of molecular characteristics in the synthesis of complex molecules, particularly relevant in medicinal chemistry, agrochemical development, and advanced materials research.
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
1.3 g/cm³
Water Solubility
5.01 × 10⁻⁵ mol/L
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
- Always handle 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile in a well-ventilated area or a chemical fume hood. Wear appropriate personal protective equipment, including chemical-resistant gloves, safety goggles or a face shield, and a lab coat. Avoid inhalation of dust or vapors and prevent contact with skin and eyes. In case of exposure, rinse immediately with plenty of water and seek medical advice. Store the compound in a cool, dry place, tightly sealed, and away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures 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.