Description

3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate is a high-value, multi-functional aromatic isothiocyanate building block. Its core value lies in the unique reactivity of the isothiocyanate group combined with the strong electron-withdrawing effect and lipophilicity imparted by the trifluoromethyl substituents. This compound is essential for researchers and manufacturers in the pharmaceutical and agrochemical sectors who require advanced intermediates for the synthesis of novel active ingredients, particularly in the development of kinase inhibitors, herbicides, and functional materials.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of biologically active molecules, including potential kinase inhibitors, receptor antagonists, and other small-molecule drug candidates.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, where the trifluoromethyl groups enhance bioavailability and metabolic stability.
• Material Science: Serves as a precursor for functional polymers, liquid crystals, and advanced coatings, leveraging its ability to form thiourea linkages and modify surface properties.
• Chemical Biology & Proteomics: Acts as a reactive handle for bioconjugation, protein labeling, and the development of activity-based probes (ABPs) due to its specific reactivity with amines and thiols.
• Ligand & Catalyst Development: Employed in the preparation of specialized ligands for catalysis and metal-organic frameworks (MOFs).

Basic Information

Product Name	3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate
CAS No.	23165-29-9
Molecular Formula	C9H3F6NS
Molecular Weight	271.18 g/mol
Synonyms	3,5-Bis(trifluoromethyl)phenyl isothiocyanate; 1-Isothiocyanato-3,5-bis(trifluoromethyl)benzene; α-Isothiocyanato-3,5-bis(trifluoromethyl)toluene; 3,5-Bis(trifluoromethyl)benzenisothiocyanate; [3,5-Bis(trifluoromethyl)phenyl] isothiocyanate; 3,5-Di(trifluoromethyl)phenyl isothiocyanate; NSC 405124
EINECS	Contact for details

Quality Control

Our 3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and FTIR, to ensure high chemical purity and identity confirmation. Certificates of Analysis (COA) detailing purity, assay, and impurity profiles are available for all shipments to support your R&D and quality assurance processes.

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 under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or 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.