Description

4-Bromo-2-Fluorophenylisothiocyanate 96 CAS NO 81171-71-3 is a high-purity, versatile organic building block characterized by its reactive isothiocyanate and halogenated aromatic structure. This compound is essential for the efficient synthesis of complex heterocycles and functionalized molecules in advanced research and development. It is primarily sought after by pharmaceutical, agrochemical, and material science industries for creating novel active ingredients and specialty chemicals.

Application

• Pharmaceutical Intermediate: A key synthon for the development of new drug candidates, particularly in medicinal chemistry programs targeting kinase inhibitors and other small molecule therapeutics.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, leveraging its halogenated structure for bioactivity.
• Ligand and Chelator Preparation: Serves as a precursor for synthesizing specialized ligands used in catalysis and metal complexation studies.
• Heterocyclic Chemistry: Fundamental building block for constructing complex sulfur- and nitrogen-containing heterocycles like benzothiazoles and thiourea derivatives.
• Material Science Research: Employed in the development of novel polymers, liquid crystals, and organic electronic materials with tailored properties.
• Bioconjugation and Probe Development: The reactive isothiocyanate group allows for labeling and conjugation with amines in biomolecules for analytical and diagnostic applications.

Basic Information

Item	Details
Product Name	4-Bromo-2-Fluorophenylisothiocyanate 96
CAS No.	81171-71-3
Molecular Formula	C7H3BrFNS
Molecular Weight	232.07 g/mol
Synonyms	1-Bromo-4-fluoro-2-isothiocyanatobenzene; 2-Fluoro-4-bromophenyl isothiocyanate; 4-Bromo-2-fluorophenyl isothiocyanate; (4-Bromo-2-fluorophenyl)isothiocyanate; NSC 405124; 2-Fluoro-4-bromo-1-isothiocyanatobenzene; Isothiocyanic acid, 4-bromo-2-fluorophenyl ester
EINECS	Contact for details

Quality Control

Our production of 4-Bromo-2-Fluorophenylisothiocyanate adheres to stringent internal quality standards to ensure batch-to-batch consistency and reliability for your synthetic processes. Each lot is analyzed using advanced techniques including HPLC, GC, and NMR to verify identity and purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

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 moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 96.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Complies with ICH guidelines

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