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(6-Chloro-4-(trifluoromethyl)pyridin-3-yl)boronic acid

CAS 1217500-87-2Formula C6H4BClF3NO2MW 225.36PubChem 46739580

This compound is a boronic acid derivative featuring a chlorotrifluoromethylpyridine core. It is primarily used as a versatile building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions for constructing complex molecular structures in research settings.

Loading RDKit molecule structure...
InChIKey: YALGIBOIRBBJRU-UHFFFAOYSA-NC6H4BClF3NO2 | MW 225.36

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

6-Chloro-4-(trifluoromethyl)pyridine-3-boronic acid[6-chloro-4-(trifluoromethyl)pyridin-3-yl]boronic acid2-CHLORO-4-(TRIFLUOROMETHYL)PYRIDINE-5-BORONIC ACIDBoronic acid, B-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-(6-Chloro-4-(trifluoromethyl)pyridin-3-yl)boronicacid
Show all synonyms
[6-chloro-4-(trifluoromethyl)-3-pyridyl]boronic acid
External Identifiers
MFCD12546506DTXSID20675178AKOS015850133AB65622AT15196BS-21072DB-333429CS-0174981

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

Estimated

Estimated / 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

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary 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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