Chemical Identity
Molecular Formula
C8H4BF4NO2
Molecular Weight
232.93 g/mol
Exact Mass
233.027121
PubChem CID
118990208
IUPAC Name
[3-cyano-2-fluoro-4-(trifluoromethyl)phenyl]boronic acid
SMILES String
N#Cc1c(C(F)(F)F)ccc(B(O)O)c1F
Names & Synonyms
External Identifiers
Catalog Overview
This compound, (3-Cyano-2-fluoro-4-(trifluoromethyl)phenyl)boronic acid, is a sophisticated arylboronic acid derivative. Its structure incorporates a phenyl ring substituted with a cyano group, a fluorine atom, and a trifluoromethyl group, alongside the characteristic boronic acid moiety. This combination of functional groups makes it a valuable and reactive intermediate for various synthetic transformations, particularly in cross-coupling reactions like the Suzuki-Miyaura coupling, where it can introduce complex aryl fragments into target molecules. Its unique substitution pattern can influence reactivity and selectivity in...
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Read more catalog context
This compound, (3-Cyano-2-fluoro-4-(trifluoromethyl)phenyl)boronic acid, is a sophisticated arylboronic acid derivative. Its structure incorporates a phenyl ring substituted with a cyano group, a fluorine atom, and a trifluoromethyl group, alongside the characteristic boronic acid moiety. This combination of functional groups makes it a valuable and reactive intermediate for various synthetic transformations, particularly in cross-coupling reactions like the Suzuki-Miyaura coupling, where it can introduce complex aryl fragments into target molecules. Its unique substitution pattern can influence reactivity and selectivity in chemical reactions, making it suitable for advanced research in medicinal chemistry, agrochemistry, and materials science.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
140.0 °C
Density
1.4 g/cm³
Water Solubility
Slightly soluble
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
- Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling 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 products and analog discovery will be available as catalog graph data is expanded.