Description

2,5-Bis(Trifluoromethyl)Phenylisothiocyanate is a specialized fluorinated aromatic isothiocyanate building block. This compound is valued for its ability to introduce both the highly electron-withdrawing trifluoromethyl group and a reactive isothiocyanate moiety into target molecules, significantly altering their physicochemical properties. It is primarily sought by researchers and process chemists in the pharmaceutical and agrochemical industries for the development of novel active ingredients, particularly in the synthesis of potential protease inhibitors and advanced materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, especially protease inhibitors and other small molecule therapeutics where the CF3 group enhances metabolic stability and lipophilicity.
• Agrochemical Research: Used in creating advanced active ingredients for crop protection agents, leveraging the unique properties of fluorine to improve efficacy and environmental profile.
• Ligand Synthesis: Employed in the preparation of specialized ligands for catalysis and metal-organic frameworks (MOFs), where the isothiocyanate group facilitates attachment to various scaffolds.
• Material Science: Serves as a monomer or modifier in the development of high-performance polymers and advanced materials with tailored surface properties and chemical resistance.
• Bioconjugation Chemistry: The reactive isothiocyanate group allows for coupling with amines, making it useful for labeling proteins, peptides, and other biomolecules in diagnostic and research applications.
• Chemical Biology Probes: Utilized to develop activity-based probes (ABPs) for studying enzyme function and mechanism, capitalizing on its specific reactivity profile.

Basic Information

Product Name	2,5-Bis(Trifluoromethyl)Phenylisothiocyanate
CAS No.	512179-73-6
Molecular Formula	C10H3F6NS
Molecular Weight	283.20 g/mol
Synonyms	2,5-Bis(trifluoromethyl)phenyl isothiocyanate; 1-Isothiocyanato-2,5-bis(trifluoromethyl)benzene; 2,5-Bis(trifluoromethyl)benzenisothiocyanate; [2,5-Bis(trifluoromethyl)phenyl] isothiocyanate; α-Isothiocyanato-2,5-bis(trifluoromethyl)benzene; Phenylisothiocyanate, 2,5-bis(trifluoromethyl)-; 2,5-Di(trifluoromethyl)phenyl isothiocyanate
EINECS	Contact for details

Quality Control

Our 2,5-Bis(Trifluoromethyl)Phenylisothiocyanate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity for research and development applications. All products undergo rigorous analytical testing, including HPLC, NMR, and GC-MS, to confirm identity and purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each 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). Due to its hygroscopic nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and degradation.

Specification

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