Chemical Identity
Molecular Formula
C13H16BClF3NO2
Molecular Weight
321.53 g/mol
Exact Mass
321.091471
PubChem CID
75486257
IUPAC Name
4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)aniline
SMILES String
CC1(C)OB(c2cc(Cl)cc(C(F)(F)F)c2N)OC1(C)C
Names & Synonyms
External Identifiers
Catalog Overview
4-Chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)aniline is a sophisticated chemical building block with the molecular formula C13H16BClF3NO2. It incorporates a chloro substituent, a trifluoromethyl group, and a pinacol boronate ester on an aniline core. This combination of functional groups makes it a versatile reagent, particularly valuable in cross-coupling reactions like the Suzuki-Miyaura coupling, where the boronate ester can react with aryl halides or triflates to form new carbon-carbon bonds. The presence of the aniline group also allows for further derivatization, making it suitable for synthesizing...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
4-Chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)aniline is a sophisticated chemical building block with the molecular formula C13H16BClF3NO2. It incorporates a chloro substituent, a trifluoromethyl group, and a pinacol boronate ester on an aniline core. This combination of functional groups makes it a versatile reagent, particularly valuable in cross-coupling reactions like the Suzuki-Miyaura coupling, where the boronate ester can react with aryl halides or triflates to form new carbon-carbon bonds. The presence of the aniline group also allows for further derivatization, making it suitable for synthesizing complex organic molecules in pharmaceutical and agrochemical research.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
110.0 °C
Boiling Point
300.0 °C
Density
1.4 g/cm³
Water Solubility
Slightly soluble
Flash Point
170.0 °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 detailed hazard information and handling procedures.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Similar products (text references)
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.