Chemical Identity
Molecular Formula
C13H17BF3NO2
Molecular Weight
287.09 g/mol
Exact Mass
287.130443
PubChem CID
75486913
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline
SMILES String
CC1(C)OB(c2ccc(C(F)(F)F)c(N)c2)OC1(C)C
Names & Synonyms
External Identifiers
Catalog Overview
This compound, with CAS 2181780-09-4, is a valuable research-use chemical characterized by its trifluoromethyl-substituted aniline moiety and a pinacol boronate ester. The boronate ester functionality makes it particularly suitable for various cross-coupling reactions, such as Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The trifluoromethyl group introduces unique electronic and steric properties, which can influence reaction selectivity and the properties of target molecules. As a functionalized intermediate, it serves as a key precursor for synthesizing more complex organic molecules in academic...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
This compound, with CAS 2181780-09-4, is a valuable research-use chemical characterized by its trifluoromethyl-substituted aniline moiety and a pinacol boronate ester. The boronate ester functionality makes it particularly suitable for various cross-coupling reactions, such as Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The trifluoromethyl group introduces unique electronic and steric properties, which can influence reaction selectivity and the properties of target molecules. As a functionalized intermediate, it serves as a key precursor for synthesizing more complex organic molecules in academic and industrial research settings.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
110.0 °C
Boiling Point
300.0 °C
Density
1.3 g/cm³
Water Solubility
Very slightly soluble
Flash Point
175.0 °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. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.
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.