Description

1-(Isothiocyanatomethyl)-3-(Trifluoromethyl)Benzene is a specialized aromatic isothiocyanate derivative, valued for its role as a versatile synthetic intermediate in advanced organic chemistry. Its molecular structure, featuring both a reactive isothiocyanate group and a trifluoromethyl substituent, makes it a critical building block for constructing complex molecules with tailored properties. This compound is primarily sought by research and development teams in the pharmaceutical and agrochemical industries for applications in medicinal chemistry and crop protection agent synthesis.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of novel drug candidates, particularly for creating thiourea derivatives and heterocyclic compounds with potential biological activity.
• Agrochemical Synthesis: Used in the research and development of advanced pesticides and herbicides, where the trifluoromethyl group can enhance metabolic stability and bioavailability.
• Chemical Biology Probe Development: Serves as a reagent for modifying proteins, peptides, and other biomolecules via its reactive isothiocyanate group, useful in bioconjugation and labeling studies.
• Material Science Research: Employed in the creation of specialized polymers and functional materials that require the incorporation of fluorine-containing aromatic units.
• Custom Synthesis and Contract Manufacturing: A high-value starting material for custom chemical synthesis services catering to R&D and pilot-scale production.

Basic Information

Product Name	1-(Isothiocyanatomethyl)-3-(Trifluoromethyl)Benzene
CAS No.	2740-85-4
Molecular Formula	C9H6F3NS
Molecular Weight	217.21 g/mol
Synonyms	3-(Trifluoromethyl)benzyl isothiocyanate; α-Isothiocyanato-3-(trifluoromethyl)toluene; m-Trifluoromethylbenzyl isothiocyanate; 1-(Isothiocyanatomethyl)-3-(trifluoromethyl)benzene; (3-Trifluoromethylphenyl)methyl isothiocyanate; 3-Trifluoromethylbenzyl isothiocyanate; Benzene, 1-(isothiocyanatomethyl)-3-(trifluoromethyl)-
EINECS	Contact for details

Quality Control

Our 1-(Isothiocyanatomethyl)-3-(Trifluoromethyl)Benzene is manufactured under strict quality control protocols to ensure high purity and batch-to-batch consistency suitable for research and synthesis. Each lot is accompanied by a comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles. We adhere to relevant industry standards and can provide material tailored to specific project requirements upon request.

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); ensure containers are sealed tightly after use to prevent degradation from atmospheric moisture.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (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.