Description

4-Bromo-3-Trifluoromethylphenylisothiocyanate is a specialized aromatic isothiocyanate derivative, a key building block in advanced organic synthesis. This compound is valued for its unique reactivity profile, where the isothiocyanate group serves as a versatile handle for constructing heterocyclic cores and functionalized molecular architectures. It is primarily sought by research and development chemists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and complex intermediates.

Application

• Pharmaceutical Intermediate: A crucial precursor for synthesizing novel drug candidates, particularly those targeting specific enzyme pathways where the trifluoromethyl and bromo substituents modulate bioactivity and metabolic stability.
• Agrochemical Synthesis: Used in the development of next-generation herbicides, fungicides, and insecticides, leveraging its structural motifs to enhance efficacy and environmental profile.
• Ligand and Material Science: Serves as a starting material for creating specialized ligands for catalysis or as a monomer for advanced polymers with unique thermal and chemical resistance properties.
• Chemical Biology Probe Development: Employed in the design of activity-based probes (ABPs) and other research tools to study biological processes, utilizing the reactive isothiocyanate group for selective labeling.
• Heterocyclic Chemistry: A fundamental building block for constructing a wide array of sulfur- and nitrogen-containing heterocycles, such as thiazoles and benzothiazines, which are common scaffolds in medicinal chemistry.

Basic Information

Product Name	4-Bromo-3-Trifluoromethylphenylisothiocyanate
CAS No.	948294-47-1
Molecular Formula	C8H3BrF3NS
Molecular Weight	282.08 g/mol
Synonyms	1-Bromo-4-isothiocyanato-2-(trifluoromethyl)benzene; 4-Bromo-α,α,α-trifluoro-m-tolyl isothiocyanate; 3-Trifluoromethyl-4-bromophenyl isothiocyanate; Isothiocyanic acid, 4-bromo-3-(trifluoromethyl)phenyl ester; 4-Bromo-3-trifluoromethylphenyl isothiocyanate; 4-Bromo-α,α,α-trifluoro-m-tolylisothiocyanate
EINECS	Contact for details

Quality Control

Our 4-Bromo-3-Trifluoromethylphenylisothiocyanate is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity. Each lot undergoes comprehensive analytical characterization, including HPLC, NMR, and IR spectroscopy, to confirm identity and purity. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting all critical quality attributes. We support our clients' regulatory needs and can supply material suitable for research and development under cGMP guidelines where required.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from strong bases and oxidizing agents.

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%
Heavy Metals	≤ 20 ppm

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