Description

4-Cyano-2-(Trifluoromethyl)Phenylisothiocyanate is a specialized aromatic isothiocyanate derivative, distinguished by the presence of both cyano and trifluoromethyl functional groups. This unique molecular architecture makes it a highly valuable and versatile building block for the synthesis of complex heterocyclic compounds and advanced materials. It is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients, as well as by material scientists for developing specialty polymers and liquid crystals.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel drug candidates, particularly in the synthesis of fused heterocycles with potential biological activity.
• Agrochemical Research: Used in the design and synthesis of new pesticides and herbicides, leveraging the bioactivity often associated with the isothiocyanate moiety.
• Material Science: Serves as a monomer or cross-linking agent in the production of specialty polymers, resins, and advanced materials with tailored properties.
• Liquid Crystal Development: The rigid, polarizable core structure makes it a candidate for creating mesogenic units in liquid crystal displays (LCDs).
• Chemical Biology Probe: Utilized as a reactive handle for bioconjugation and labeling of biomolecules due to the electrophilic nature of the isothiocyanate group.
• Organic Synthesis Building Block: Employed in cycloaddition reactions and as a precursor for various nitrogen- and sulfur-containing heterocycles like thiazoles and benzothiazoles.

Basic Information

Product Name	4-Cyano-2-(Trifluoromethyl)Phenylisothiocyanate
CAS No.	285125-02-2
Molecular Formula	C9H3F3N2S
Molecular Weight	228.19 g/mol
Synonyms	2-(Trifluoromethyl)-4-cyanophenyl isothiocyanate; 4-Cyano-2-trifluoromethylphenyl isothiocyanate; [4-Cyano-2-(trifluoromethyl)phenyl] isothiocyanate; 1-Isothiocyanato-4-cyano-2-(trifluoromethyl)benzene; 2-Trifluoromethyl-4-cyanophenyl isothiocyanate; 4-CN-2-CF3-Phenylisothiocyanate; Benzene, 1-isothiocyanato-4-cyano-2-(trifluoromethyl)-
EINECS	Contact for details

Quality Control

Our 4-Cyano-2-(Trifluoromethyl)Phenylisothiocyanate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment. We are committed to meeting the stringent requirements of research and development applications.

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 (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	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.