Description

Ethanone, 2,2,2-Trifluoro-1-(4-Mercaptophenyl)- (9Ci) is a specialized organosulfur and organofluorine compound featuring a unique trifluoroacetyl group linked to a thiophenol moiety. This molecular architecture makes it a valuable high-purity building block and intermediate for advanced synthesis in pharmaceutical and agrochemical research. It is primarily sought by R&D chemists and process development scientists working on novel active ingredients. The compound's reactivity profile allows for the introduction of both the trifluoromethyl and thiol functional groups into target molecules, enabling the fine-tuning of bioactivity and physicochemical properties.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel drug candidates, particularly in areas requiring fluorinated motifs for metabolic stability and bioavailability enhancement.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the trifluoromethyl group can improve lipophilicity and biological activity.
• Ligand and Catalyst Precursor: Serves as a starting material for synthesizing specialized ligands used in transition metal catalysis and asymmetric synthesis.
• Material Science Research: Employed in the development of novel monomers or additives for advanced polymers and functional materials.
• Chemical Biology Probes: Utilized to create molecular probes for studying enzyme activity or protein interactions due to its reactive thiol group.
• Custom Synthesis and Contract Manufacturing: A critical intermediate for fine chemical manufacturers offering bespoke synthesis services to the life sciences industry.

Basic Information

Product Name	Ethanone, 2,2,2-Trifluoro-1-(4-Mercaptophenyl)- (9Ci)
CAS No.	86988-51-4
Molecular Formula	C8H5F3OS
Molecular Weight	206.18 g/mol
Synonyms	4'-(Trifluoroacetyl)benzenethiol; 1-[4-(Mercapto)phenyl]-2,2,2-trifluoroethanone; 2,2,2-Trifluoro-1-(4-mercaptophenyl)ethanone; 4-Mercaptophenyl trifluoromethyl ketone; p-Mercaptophenyl trifluoromethyl ketone; α,α,α-Trifluoro-4-mercaptoacetophenone; TFMP-thiol; Trifluoroacetylthiophenol
EINECS	Contact for details

Quality Control

We supply Ethanone, 2,2,2-Trifluoro-1-(4-Mercaptophenyl)- (9Ci) in high-purity grades suitable for research and development. Our products undergo rigorous quality testing to ensure batch-to-batch consistency and compliance with customer specifications. Standard analytical techniques including HPLC, GC, NMR, and IR spectroscopy are employed. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment. We adhere to a cGMP-compliant quality management system for traceability and documentation.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at a controlled room temperature (15-25°C) in a cool, dry, and well-ventilated place. Due to its sensitivity to oxidation and light, prolonged exposure to air or light should be avoided. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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