Description

3-(Trifluoromethyl)-4-Methylphenyl Isothiocyanate is a specialized fluorinated aromatic isothiocyanate building block. This compound is valued for its role in synthesizing advanced heterocyclic compounds and functional materials, where the trifluoromethyl group imparts unique electronic and lipophilic properties. It is primarily utilized by researchers and process chemists in the pharmaceutical, agrochemical, and materials science industries for the development of novel active ingredients and high-performance polymers.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting kinase inhibitors and other biologically active molecules.
• Agrochemical Research: Used in the development of next-generation herbicides, fungicides, and pesticides, where the CF3 group can enhance bioavailability and metabolic stability.
• Liquid Crystal & OLED Materials: Serves as a precursor for advanced functional materials in electronic displays and optoelectronic devices due to its aromatic core and fluorine content.
• Polymer Modification: Employed to introduce isothiocyanate functional groups into polymer chains for cross-linking or to create specialty polymers with tailored properties.
• Chemical Biology & Proteomics: Can be used as a reactive handle for bioconjugation and labeling of biomolecules, facilitating studies in protein analysis and diagnostics.
• Organic Synthesis Building Block: A versatile reagent for constructing thiourea derivatives and heterocycles like benzothiazoles through reactions with amines.

Basic Information

Product Name	3-(Trifluoromethyl)-4-Methylphenyl Isothiocyanate
CAS No.	351003-67-3
Molecular Formula	C9H6F3NS
Molecular Weight	217.21 g/mol
Synonyms	4-Methyl-3-(trifluoromethyl)phenyl isothiocyanate; 1-Isothiocyanato-4-methyl-3-(trifluoromethyl)benzene; 3-Trifluoromethyl-p-tolyl isothiocyanate; 3-(Trifluoromethyl)-4-methylbenzenisothiocyanate; α,α,α-Trifluoro-4-methyl-m-tolyl isothiocyanate; 4-Methyl-α,α,α-trifluoro-m-isothiocyanatotoluene
EINECS	Contact for details

Quality Control

Our 3-(Trifluoromethyl)-4-Methylphenyl Isothiocyanate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity. We provide comprehensive analytical data including HPLC, GC, and NMR to verify identity and purity. A Certificate of Analysis (COA) is supplied with each batch, documenting compliance with agreed specifications. For custom synthesis or specific grade requirements (e.g., research grade, >98% purity), please contact our technical team.

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, open flames, and incompatible materials such as strong bases, amines, and alcohols. The container should be kept tightly sealed to prevent moisture absorption and degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95%
Water Content (KF)	≤ 0.5%

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