Description

4-Fluoro-3-Trifluoromethylphenyl Isothiocyanate is a specialized fluorinated aromatic isothiocyanate building block of significant interest in advanced organic synthesis. Its value lies in the unique reactivity of the isothiocyanate group combined with the electron-withdrawing properties of the fluorine and trifluoromethyl substituents, enabling precise molecular construction. This compound is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key precursor for the synthesis of thiourea derivatives, which are core scaffolds in numerous drug discovery programs targeting various therapeutic areas.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides, where the fluorine atoms enhance biological activity and environmental stability.
• Ligand and Catalyst Development: Serves as a versatile handle for constructing chelating ligands and organocatalysts used in asymmetric synthesis and metal complexation.
• Material Science Research: Employed in the functionalization of polymers and surfaces to introduce specific fluorinated aromatic groups, altering surface properties.
• Chemical Biology Probe Synthesis: Useful for labeling biomolecules or creating activity-based probes due to the selective reactivity of the isothiocyanate group with amines.

Basic Information

Product Name	4-Fluoro-3-Trifluoromethylphenyl Isothiocyanate
CAS No.	302912-43-2
Molecular Formula	C8H3F4NS
Molecular Weight	221.18 g/mol
Synonyms	1-Fluoro-2-isothiocyanato-5-(trifluoromethyl)benzene; 3-Trifluoromethyl-4-fluorophenyl isothiocyanate; 4-Fluoro-α,α,α-trifluoro-m-tolyl isothiocyanate; 4-Fluoro-3-(trifluoromethyl)phenyl isothiocyanate; Isothiocyanic acid, 4-fluoro-3-(trifluoromethyl)phenyl ester; 4-Fluoro-3-trifluoromethylphenyl isothiocyanate
EINECS	Contact for details

Quality Control

Our 4-Fluoro-3-Trifluoromethylphenyl Isothiocyanate is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by IR and NMR spectroscopy, to ensure it meets the high standards required for research and process chemistry. Certificates of Analysis (COA) detailing batch-specific results are available upon request to support your quality assurance and regulatory documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation. Keep away from strong bases and amines.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details

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