Description

2-(Trifluoromethyl)Benzyl Thiocyanate is a specialized organofluorine building block characterized by the presence of both a trifluoromethyl group and a reactive thiocyanate moiety. This compound matters for its utility in synthesizing complex molecules, particularly in the development of pharmaceuticals and agrochemicals where the trifluoromethyl group is prized for enhancing metabolic stability and lipophilicity. It is needed by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for constructing novel chemical entities.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of active pharmaceutical ingredients (APIs), especially those targeting central nervous system (CNS) disorders or possessing anti-inflammatory properties.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, and insecticides, where the CF₃ group can improve biological activity and environmental persistence.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands in coordination chemistry and catalysis.
• Material Science: Employed in the synthesis of monomers or additives for advanced polymers with specific optical or electronic properties.
• Chemical Biology Probes: Useful for synthesizing probes that can modify proteins or other biomolecules via the reactive thiocyanate group.
• Custom Synthesis and Contract Manufacturing: A valuable starting material for custom synthesis houses serving the life sciences industry.

Basic Information

Product Name	2-(Trifluoromethyl)Benzyl Thiocyanate
CAS No.	1233513-28-4
Molecular Formula	C₉H₆F₃NS
Molecular Weight	217.21 g/mol
Synonyms	α-(Trifluoromethyl)benzyl thiocyanate; (2-(Trifluoromethyl)phenyl)methyl thiocyanate; 1-(Thiocyanatomethyl)-2-(trifluoromethyl)benzene; 2-(Trifluoromethyl)benzyl isothiocyanate (common misnomer); 2-(Trifluoromethyl)phenylmethyl thiocyanate; Benzene, 1-(thiocyanatomethyl)-2-(trifluoromethyl)-; α-Trifluoromethylbenzyl thiocyanate
EINECS	Contact for details

Quality Control

Our 2-(Trifluoromethyl)Benzyl Thiocyanate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with every shipment to guarantee compliance with your research and development specifications.

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). Keep away from heat, sparks, and open flame. This material is light-sensitive (store away from light).

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.