Description

o-3,4,5-Trifluorophenyl Carbonochloridothioate is a specialized organosulfur and organofluorine building block of significant interest in advanced synthetic chemistry. Its core value lies in its bifunctional reactivity, serving as a key intermediate for constructing complex molecular architectures. This compound is primarily needed by R&D and production chemists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of fluorinated drug candidates, particularly in medicinal chemistry programs targeting CNS disorders and oncology.
• Agrochemical Synthesis: Used in the development of next-generation herbicides and pesticides, where the trifluorophenyl moiety enhances biological activity and environmental stability.
• Material Science Precursor: Employed in the research and production of specialty polymers and advanced materials with unique surface properties.
• Cross-Coupling Reactions: Acts as an electrophilic reagent in palladium-catalyzed and other transition metal-mediated cross-coupling reactions to form carbon-sulfur bonds.
• Ligand and Catalyst Development: Serves as a starting material for synthesizing novel ligands and organocatalysts used in asymmetric synthesis.
• Chemical Biology Probes: Utilized in the design and synthesis of activity-based probes for studying enzyme function and mechanism.

Basic Information

Product Name	o-3,4,5-Trifluorophenyl Carbonochloridothioate
CAS No.	959586-39-1
Molecular Formula	C7H2ClF3OS
Molecular Weight	232.60 g/mol
Synonyms	3,4,5-Trifluorophenyl chlorothionoformate; Carbonochloridothioic acid, O-(3,4,5-trifluorophenyl) ester; 3,4,5-Trifluorophenyl chloromethanethioate; O-(3,4,5-Trifluorophenyl) carbonochloridothioate; Thiocarbonyl chloride O-(3,4,5-trifluorophenyl) ester; Chlorothioformic acid O-(3,4,5-trifluorophenyl) ester
EINECS	Contact for details

Quality Control

Our o-3,4,5-Trifluorophenyl Carbonochloridothioate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure high purity and consistency. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (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 degradation. Keep away from heat, sparks, and open flame.

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%
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.