Description

3-Trifluoromethylthiophenyl Isothiocyanate is a specialized organosulfur and organofluorine building block of significant interest in advanced chemical synthesis. This compound matters for its unique reactivity profile, combining an electron-withdrawing trifluoromethylthio group with a highly electrophilic isothiocyanate moiety, enabling precise molecular construction. It is primarily needed by researchers and manufacturers in the pharmaceutical, agrochemical, and materials science sectors for developing novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel drug candidates, particularly in medicinal chemistry programs targeting kinase inhibitors and other biologically active scaffolds.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the trifluoromethylthio group can enhance biological activity and metabolic stability.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands in coordination chemistry and catalysis.
• Functional Material Research: Employed in the synthesis of monomers or additives for advanced polymers and materials with specific electronic or surface properties.
• Chemical Biology Probes: Useful for modifying peptides, proteins, or other biomolecules due to the reactivity of the isothiocyanate group with amines.

Basic Information

Product Name	3-Trifluoromethylthiophenyl Isothiocyanate
CAS No.	42729-26-0
Molecular Formula	C8H4F3NS2
Molecular Weight	235.25 g/mol
Synonyms	1-Isothiocyanato-3-[(trifluoromethyl)thio]benzene; 3-[(Trifluoromethyl)thio]phenyl isothiocyanate; m-(Trifluoromethylthio)phenyl isothiocyanate; 3-Trifluoromethylsulfanylphenyl isothiocyanate; 3-(Trifluoromethylthio)benzenisothiocyanate; Benzene, 1-isothiocyanato-3-[(trifluoromethyl)thio]-; 3-(Trifluoromethylmercapto)phenyl isothiocyanate
EINECS	Contact for details

Quality Control

Our 3-Trifluoromethylthiophenyl Isothiocyanate is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure high chemical purity and identity confirmation. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment to guarantee traceability and compliance with your research or production standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). This material is light-sensitive and easily oxidized; for long-term storage, consider under an inert atmosphere such as nitrogen or argon to maintain optimal purity and stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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