Description

4-Isothiocyanato-2-(Trifluoromethyl)Benzonitrile is a specialized aromatic compound featuring both an isothiocyanate and a nitrile functional group on a trifluoromethyl-substituted benzene ring. This unique structure makes it a valuable high-purity building block for advanced chemical synthesis, particularly in the development of novel active molecules. It is primarily sought after by pharmaceutical and agrochemical research organizations for use in medicinal chemistry and crop protection product development.

Application

• Pharmaceutical Intermediate: A key synthon for the construction of drug candidates, particularly those targeting specific enzyme inhibitors or receptor modulators.
• Agrochemical Research: Used in the synthesis of novel herbicides, fungicides, or insecticides, leveraging the biological activity of the isothiocyanate moiety.
• Chemical Biology Probe Development: Serves as a reactive handle for labeling or modifying proteins and other biomolecules in proteomics and bio-conjugation studies.
• Material Science Precursor: Potential building block for advanced polymers or functional materials with specific electronic or surface properties.
• Organic Synthesis: Used in academic and industrial R&D for constructing complex heterocycles and other specialty chemicals.

Basic Information

Product Name	4-Isothiocyanato-2-(Trifluoromethyl)Benzonitrile
CAS No.	143782-23-4
Molecular Formula	C9H3F3N2S
Molecular Weight	228.19 g/mol
Synonyms	2-(Trifluoromethyl)-4-isothiocyanatobenzonitrile; 4-Isothiocyanato-α,α,α-trifluoro-o-tolunitrile; 2-Cyano-5-isothiocyanatobenzotrifluoride; 4-Cyano-3-(trifluoromethyl)phenyl isothiocyanate; Benzonitrile, 4-isothiocyanato-2-(trifluoromethyl)-; 4-Isothiocyanato-2-trifluoromethylbenzonitrile
EINECS	Contact for details

Quality Control

Our production of 4-Isothiocyanato-2-(Trifluoromethyl)Benzonitrile adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for research and development applications. All materials are accompanied by a comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles. We support cGMP and ISO 9001 aligned practices for traceability and 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). This compound is moisture-sensitive; keep the container tightly sealed under an inert atmosphere if possible. Keep away from strong bases and oxidizing agents.

Specification

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