Description

3-Fluoro-4-(Methylsulfonylamino)Benzyl Isothiocyanate is a specialized organic building block featuring a reactive isothiocyanate group and a fluorinated aromatic core. This compound is of significant value in medicinal chemistry and agrochemical research for constructing novel molecular scaffolds. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical and life sciences industries to develop new active ingredients and probe biological pathways.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel small molecule drugs, particularly in oncology and CNS therapeutic areas.
• Agrochemical Research: Used in the synthesis of advanced crop protection agents and herbicides, leveraging its fluorine moiety for enhanced bioactivity and stability.
• Chemical Biology Probe: The reactive isothiocyanate group enables covalent modification of proteins and enzymes for target identification and validation studies.
• Material Science Precursor: Serves as a monomer or cross-linking agent in the development of specialty polymers and advanced functional materials.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs and research institutions for bespoke synthesis projects and library production.

Basic Information

Product Name	3-Fluoro-4-(Methylsulfonylamino)Benzyl Isothiocyanate
CAS No.	565448-37-5
Molecular Formula	C9H9FN2O2S2
Molecular Weight	260.31 g/mol
Synonyms	4-[(Isothiocyanatomethyl)-2-fluoro-N-methylsulfonylaniline]; 1-Fluoro-2-[(methylsulfonyl)amino]-5-(isothiocyanatomethyl)benzene; 3-Fluoro-4-(methylsulfonylamino)benzyl isothiocyanate; 4-(Isothiocyanatomethyl)-2-fluoro-N-(methylsulfonyl)aniline; Benzene, 1-fluoro-2-[(methylsulfonyl)amino]-5-(isothiocyanatomethyl)-; 565448-37-5; 3-Fluoro-4-(methylsulfonamido)benzyl isothiocyanate
EINECS	Contact for details

Quality Control

Our 3-Fluoro-4-(Methylsulfonylamino)Benzyl Isothiocyanate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and KF titration for moisture content, to ensure it meets the stringent requirements of research and development applications. A detailed Certificate of Analysis (COA) is provided with every shipment to guarantee traceability and batch-to-batch consistency.

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). This product is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) when not in use to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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