Description

2-Bromo-5-(Trifluoromethyl)Phenylisothiocyanate is a versatile and highly functionalized aromatic isothiocyanate building block. This compound is valued for its dual reactive sites—the electrophilic isothiocyanate group and the halogen substituent—enabling its use in the synthesis of complex heterocycles and functional materials. It is primarily sought by research and development chemists in the pharmaceutical and agrochemical industries for creating novel active ingredients and advanced intermediates.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of potential drug candidates, particularly in medicinal chemistry programs targeting kinase inhibitors or other small molecule therapeutics.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides, leveraging the trifluoromethyl and bromo groups for bioactivity and metabolic stability.
• Ligand Synthesis: Serves as a precursor for creating specialized ligands and chelating agents used in catalysis and material science.
• Heterocyclic Chemistry: The reactive isothiocyanate group is instrumental in constructing thiazole, benzothiazole, and other sulfur-containing heterocyclic scaffolds.
• Functional Material Development: Employed in the research of advanced polymers, liquid crystals, or organic electronic materials where specific aromatic and fluorine-containing units are required.
• Chemical Biology Probes: Can be used to develop activity-based probes or affinity labels for studying enzyme function and protein interactions.

Basic Information

Product Name	2-Bromo-5-(Trifluoromethyl)Phenylisothiocyanate
CAS No.	862902-36-1
Molecular Formula	C8H3BrF3NS
Molecular Weight	282.08 g/mol
Synonyms	1-Bromo-4-isothiocyanato-2-(trifluoromethyl)benzene; 2-Bromo-α,α,α-trifluoro-m-tolyl isothiocyanate; [2-Bromo-5-(trifluoromethyl)phenyl] isothiocyanate; 2-Bromo-5-(trifluoromethyl)benzenisothiocyanate; m-Trifluoromethyl-2-bromophenyl isothiocyanate; 862902-36-1; Benzene, 1-bromo-4-isothiocyanato-2-(trifluoromethyl)-
EINECS	Contact for details

Quality Control

Our 2-Bromo-5-(Trifluoromethyl)Phenylisothiocyanate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing key parameters such as assay, identity, and impurity profiles. Our quality system is designed to meet the stringent requirements of research and pre-clinical development.

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) and light-sensitive; ensure containers are sealed under inert atmosphere if necessary after opening to maintain product integrity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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