Description

3-Chloro-5-(Trifluoromethyl)Phenyl Triflate is a specialized organofluorine building block and triflating reagent of significant interest in advanced organic synthesis. Its core value lies in its ability to introduce the highly reactive triflate leaving group onto a substituted phenyl ring, enabling a wide range of cross-coupling and nucleophilic substitution reactions. This compound is particularly valuable for researchers and process chemists in the pharmaceutical and agrochemical industries who require precise functionalization of complex aromatic scaffolds to develop new active ingredients.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, particularly in the development of molecules containing trifluoromethyl and chloro-substituted aromatic systems.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and insecticides where the specific substitution pattern confers desirable biological activity and stability.
• Material Science Precursor: Serves as a monomer or functionalization agent in the creation of specialty polymers, liquid crystals, and organic electronic materials.
• Cross-Coupling Reactions: The phenyl triflate group is an excellent substrate for palladium-catalyzed reactions such as Suzuki, Stille, and Negishi couplings to form biaryl structures.
• Nucleophilic Aromatic Substitution: Facilitates the displacement of the triflate group with various nucleophiles, allowing for the introduction of amines, alkoxides, and thiols.
• Ligand and Catalyst Development: Employed in the synthesis of complex, multi-dentate ligands and organocatalysts for asymmetric synthesis.

Basic Information

Product Name	3-Chloro-5-(Trifluoromethyl)Phenyl Triflate
CAS No.	1446016-94-9
Molecular Formula	C8H3ClF6O3S
Molecular Weight	328.61 g/mol
Synonyms	3-Chloro-5-{[(Trifluoromethyl)Sulphonyl]Oxy}Benzotrifluoride; 3-Chloro-5-(trifluoromethyl)phenyl trifluoromethanesulfonate; 3-Chloro-α,α,α-trifluoro-5-(trifluoromethanesulfonyloxy)toluene; 1-Chloro-3-((trifluoromethyl)sulfonyloxy)-5-(trifluoromethyl)benzene; 3-Chloro-5-(trifluoromethyl)phenol triflate; (3-Chloro-5-(trifluoromethyl)phenyl) trifluoromethanesulfonate
EINECS	Contact for details

Quality Control

Our production of 3-Chloro-5-(Trifluoromethyl)Phenyl Triflate adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC for purity, NMR for structural confirmation, and GC for residual solvent analysis, to ensure consistency and reliability for your critical synthetic applications. Certificates of Analysis (COA) detailing all specifications are provided with each shipment and are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent decomposition.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
Water Content (KF)	≤ 0.5% w/w
Residual Solvents (GC)	Meets ICH guidelines

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.