Chemical Identity
Molecular Formula
C6H4BClF3NO2
Molecular Weight
225.36 g/mol
Exact Mass
224.997571
PubChem CID
46739580
IUPAC Name
[6-chloro-4-(trifluoromethyl)-3-pyridinyl]boronic acid
SMILES String
OB(O)c1cnc(Cl)cc1C(F)(F)F
Names & Synonyms
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External Identifiers
Catalog Overview
(6-Chloro-4-(trifluoromethyl)pyridin-3-yl)boronic acid, identified by CAS 1217500-87-2, is a halogenated pyridine boronic acid. Its molecular structure includes a pyridine ring substituted with a chlorine atom at position 6, a trifluoromethyl group at position 4, and a boronic acid group at position 3. With a molecular formula of C6H4BClF3NO2 and a molecular weight of 225. 36, this compound serves as a key functionalized intermediate.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
(6-Chloro-4-(trifluoromethyl)pyridin-3-yl)boronic acid, identified by CAS 1217500-87-2, is a halogenated pyridine boronic acid. Its molecular structure includes a pyridine ring substituted with a chlorine atom at position 6, a trifluoromethyl group at position 4, and a boronic acid group at position 3. With a molecular formula of C6H4BClF3NO2 and a molecular weight of 225.36, this compound serves as a key functionalized intermediate. It is widely employed in synthetic organic chemistry, especially in palladium-catalyzed cross-coupling reactions like the Suzuki-Miyaura coupling, to introduce substituted pyridine moieties into target molecules. This makes it valuable for the synthesis of pharmaceuticals, agrochemicals, and advanced materials in research and development.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
202.0 °C
Boiling Point
295.0 °C
Density
1.55 g/cm³
Water Solubility
0.234 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
- 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.
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