Description

4-(Trifluoromethyl)Benzyl Thiocyanate is a versatile fluorinated organic building block characterized by its reactive benzyl and thiocyanate functional groups. This compound is of significant commercial interest for its role in synthesizing advanced materials and active pharmaceutical ingredients, where the trifluoromethyl group imparts desirable properties like enhanced metabolic stability and lipophilicity. It is primarily sought after by research institutions and industrial manufacturers in the agrochemical, pharmaceutical, and specialty chemical sectors for developing novel compounds.

Application

• Pharmaceutical Intermediate: A key synthon for the development of drug candidates, particularly those targeting central nervous system (CNS) disorders and anti-inflammatory agents.
• Agrochemical Synthesis: Used in the production of advanced herbicides and pesticides, where the CF3 group contributes to biological activity and environmental persistence.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands in coordination chemistry and catalysis.
• Material Science Research: Employed in the synthesis of monomers for polymers with specific optical or electronic properties.
• Organic Synthesis Building Block: Utilized in nucleophilic substitution and cyclization reactions to introduce sulfur-containing heterocycles.
• Chemical Biology Probes: Acts as a starting material for synthesizing probes used in studying enzyme mechanisms and cellular processes.

Basic Information

Product Name	4-(Trifluoromethyl)Benzyl Thiocyanate
CAS No.	41499-20-1
Molecular Formula	C9H6F3NS
Molecular Weight	217.21 g/mol
Synonyms	α-(Trifluoromethyl)benzyl thiocyanate; (4-(Trifluoromethyl)phenyl)methyl thiocyanate; 1-(Thiocyanatomethyl)-4-(trifluoromethyl)benzene; p-(Trifluoromethyl)benzyl thiocyanate; 4-(Trifluoromethyl)benzyl isothiocyanate (common misnomer); 4-CF3-BenzylSCN; 4-Trifluoromethylbenzyl thiocyanate
EINECS	Contact for details

Quality Control

Our 4-(Trifluoromethyl)Benzyl Thiocyanate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure high purity and consistency. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance protocols.

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	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
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.