Description

3-(Trifluoromethyl)Benzoyl Isothiocyanate is a specialized organic building block featuring a reactive isothiocyanate group and a trifluoromethyl-substituted aromatic ring. This compound is valued for its role as a key intermediate in synthesizing heterocyclic compounds and functional materials with enhanced properties. It is primarily sought by research and development teams in the pharmaceutical, agrochemical, and advanced materials sectors for creating novel active ingredients and ligands.

Application

• Pharmaceutical Intermediate: Serves as a crucial precursor in the synthesis of novel drug candidates, particularly those targeting specific enzyme inhibitors or receptor modulators.
• Agrochemical Synthesis: Used in the development of new herbicides, fungicides, and insecticides, where the trifluoromethyl group can improve biological activity and environmental stability.
• Ligand and Chelator Production: Employed in the creation of specialized ligands for catalysis or metal ion chelation in industrial and analytical chemistry.
• Heterocyclic Chemistry: A fundamental building block for constructing various sulfur and nitrogen-containing heterocycles, such as thiazoles and related structures.
• Material Science Research: Investigated for incorporation into polymers or advanced organic frameworks to impart specific electronic or surface properties.

Basic Information

Product Name	3-(Trifluoromethyl)Benzoyl Isothiocyanate
CAS No.	100663-25-0
Molecular Formula	C9H4F3NOS
Molecular Weight	231.20 g/mol
Synonyms	3-(Trifluoromethyl)benzoyl isothiocyanate; α-Oxo-3-(trifluoromethyl)benzenecarbonitrile sulfide; m-Trifluoromethylbenzoyl isothiocyanate; 3-(Trifluoromethyl)benzoyl mustard oil; Isothiocyanic acid, (3-trifluoromethylbenzoyl)-; (3-Trifluoromethylbenzoyl) isothiocyanate
EINECS	Contact for details

Quality Control

Our 3-(Trifluoromethyl)Benzoyl Isothiocyanate is manufactured under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and FTIR, to ensure identity, purity, and consistency. We provide detailed Certificates of Analysis (COA) with every shipment to support your quality assurance and regulatory compliance needs.

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 material is hygroscopic (moisture-sensitive) and light-sensitive; ensure containers are sealed under inert atmosphere if necessary after opening to maintain product integrity.

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
Water Content (KF)	≤ 0.5%

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