Description

2,4-Bis(Trifluoromethyl)Phenylisothiocyanate is a specialized fluorinated aromatic isothiocyanate building block. This compound is valued for its unique reactivity, where the isothiocyanate group serves as a versatile handle for synthesizing thiourea derivatives, while the electron-withdrawing trifluoromethyl groups impart significant stability and influence physicochemical properties. It is primarily sought by researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors for use as a key intermediate in the development of active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of novel drug candidates, particularly those targeting specific enzyme inhibitors or receptor modulators where the thiourea moiety and fluorine atoms are pharmacologically advantageous.
• Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and pesticides, leveraging its structural features to enhance biological activity and environmental stability.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands in coordination chemistry and catalysis, useful in asymmetric synthesis and material science applications.
• Polymer and Material Science: Incorporated into polymer backbones or as a surface modifying agent to introduce fluorinated segments, thereby altering surface energy, chemical resistance, and thermal properties of advanced materials.
• Chemical Biology Probe Synthesis: Employed to create isothiocyanate-based probes for labeling and studying proteins, enzymes, or other biomolecules due to its specific reactivity with amine groups.

Basic Information

Product Name	2,4-Bis(Trifluoromethyl)Phenylisothiocyanate
CAS No.	269736-40-5
Molecular Formula	C9H3F6NS
Molecular Weight	271.19 g/mol
Synonyms	2,4-Bis(trifluoromethyl)phenyl isothiocyanate; 1-Isothiocyanato-2,4-bis(trifluoromethyl)benzene; [2,4-Bis(trifluoromethyl)phenyl] isothiocyanate; 2,4-Bis(trifluoromethyl)benzenisothiocyanate; α,α,α,α',α',α'-Hexafluoro-2,4-xylene isothiocyanate
EINECS	Contact for details

Quality Control

Our 2,4-Bis(Trifluoromethyl)Phenylisothiocyanate is manufactured under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity assessment and NMR/IR for structural confirmation, to ensure it meets the high standards required for research and process chemistry. A Certificate of Analysis (COA) detailing specific batch results is provided with every shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This product is hygroscopic (moisture-sensitive); therefore, containers must be kept tightly sealed and under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Water Content (KF)	≤ 0.5%

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