Chemical Identity
Molecular Formula
C13H17BF3NO2
Molecular Weight
287.09 g/mol
Exact Mass
287.130443
PubChem CID
163369415
IUPAC Name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline
SMILES String
CC1(C)OB(c2cccc(N)c2C(F)(F)F)OC1(C)C
Names & Synonyms
External Identifiers
Catalog Overview
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline is an organic compound with the molecular formula C13H17BF3NO2 and a molecular weight of 287. 09 g/mol. It incorporates a trifluoromethyl group (-CF3) and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) moiety attached to an aniline benzene ring. The trifluoromethyl group is known for its electron-withdrawing properties and metabolic stability, while the pinacol boronate group is a versatile reagent for C-C bond formation, notably in Suzuki-Miyaura cross-coupling reactions.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline is an organic compound with the molecular formula C13H17BF3NO2 and a molecular weight of 287.09 g/mol. It incorporates a trifluoromethyl group (-CF3) and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) moiety attached to an aniline benzene ring. The trifluoromethyl group is known for its electron-withdrawing properties and metabolic stability, while the pinacol boronate group is a versatile reagent for C-C bond formation, notably in Suzuki-Miyaura cross-coupling reactions. This compound serves as a valuable building block in the synthesis of various pharmaceutical intermediates and other fine chemicals, leveraging its reactive boronate and functionalized aromatic core.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
95.0 °C
Boiling Point
375.0 °C
Density
1.22 g/cm³
Water Solubility
Slightly soluble
Flash Point
195.0 °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 under a 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.