Description

4-(Trifluoromethoxy)Benzylisothiocyanate is a versatile and high-value organic building block characterized by its reactive isothiocyanate functional group and trifluoromethoxy aromatic substituent. This compound is essential for the synthesis of advanced chemical intermediates, offering unique electronic and steric properties that are highly sought after in modern research and development. It is primarily utilized by pharmaceutical, agrochemical, and advanced materials scientists for creating novel compounds with enhanced biological activity and material performance.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of potential drug candidates, particularly for kinase inhibitors and other small molecule therapeutics.
• Agrochemical Synthesis: Used in the development of novel pesticides and herbicides, where the trifluoromethoxy group can improve metabolic stability and lipophilicity.
• Ligand and Catalyst Development: Serves as a building block for creating specialized ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Material Science Research: Employed in the synthesis of functional polymers and advanced organic materials with specific electronic properties.
• Chemical Biology Probes: Useful for synthesizing activity-based probes (ABPs) to study enzyme function and mechanism in biological systems.
• Custom Synthesis and R&D: A critical reagent for contract research organizations (CROs) and academic laboratories engaged in exploratory organic synthesis.

Basic Information

Product Name	4-(Trifluoromethoxy)Benzylisothiocyanate
CAS No.	128273-52-9
Molecular Formula	C9H6F3NOS
Molecular Weight	233.21 g/mol
Synonyms	1-Isothiocyanatomethyl-4-(trifluoromethoxy)benzene; p-(Trifluoromethoxy)benzyl isothiocyanate; 4-(Trifluoromethoxy)phenylmethyl isothiocyanate; α-Isothiocyanato-4-(trifluoromethoxy)toluene; (4-(Trifluoromethoxy)phenyl)methanethioic isocyanate; 4-(Trifluoromethoxy)benzyl mustard oil; 4-(Trifluoromethoxy)benzyl thiocyanate isomeric form
EINECS	Contact for details

Quality Control

Our 4-(Trifluoromethoxy)Benzylisothiocyanate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and GC-MS, to ensure high purity and consistency. Certificates of Analysis (COA) with detailed specifications are provided for every shipment, supporting 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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or low-melting solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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