Description

Benzene, 1-Fluoro-3-(Isocyanomethyl)- (9Ci) is a specialized fluorinated aromatic isocyanate building block of significant interest in advanced organic synthesis. This compound matters for its unique bifunctional reactivity, combining a reactive isocyanate group with a fluorine substituent on the benzene ring, enabling the construction of complex molecular architectures. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel active pharmaceutical ingredients (APIs), particularly in fluorinated drug candidates targeting CNS disorders and oncology.
• Agrochemical Synthesis: Used in the research and production of next-generation herbicides, fungicides, and insecticides where the fluorine atom enhances biological activity and environmental stability.
• Polymer & Material Science: Serves as a monomer or cross-linking agent for synthesizing specialty polyurethanes, polyureas, and high-performance polymers with tailored thermal and chemical resistance.
• Ligand & Catalyst Development: Employed in the design of novel fluorinated ligands for catalysis and metal-organic frameworks (MOFs) with specific binding properties.
• Chemical Biology Probes: Utilized to create isocyanate-reactive probes for studying protein interactions and enzyme mechanisms in biochemical research.
• Custom Synthesis & Contract Manufacturing: A critical building block for custom synthesis houses serving the fine chemical and life science industries.

Basic Information

Item	Detail
Product Name	Benzene, 1-Fluoro-3-(Isocyanomethyl)- (9Ci)
CAS No.	602261-87-0
Molecular Formula	C8H6FNO
Molecular Weight	151.14 g/mol
Synonyms	3-Fluorobenzyl isocyanate; 1-Fluoro-3-(isocyanomethyl)benzene; (3-Fluorophenyl)methyl isocyanate; m-Fluorobenzyl isocyanate; α-Isocyanato-3-fluorotoluene; Isocyanatomethyl-3-fluorobenzene; 3-Fluoro-α-isocyanatotoluene; 3-Fluorobenzylisocyanate
EINECS	Contact for details

Quality Control

Every batch of Benzene, 1-Fluoro-3-(Isocyanomethyl)- (9Ci) is produced and tested under strict quality management systems. We ensure high purity and consistency through advanced analytical techniques including GC, HPLC, NMR, and FTIR. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your regulatory and R&D requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at 2-8°C under an inert atmosphere (e.g., nitrogen or argon) due to its moisture-sensitive and light-sensitive nature. Keep away from heat, open flames, and incompatible materials such as alcohols, amines, and water.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC/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.