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3-Fluorophenyl Isocyanate CAS NO 404-71-7


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CAS No.:404-71-7

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

3-Fluorophenyl Isocyanate is a versatile aromatic isocyanate monomer essential for introducing the 3-fluorophenyl moiety into advanced chemical structures. This compound is a critical building block in the synthesis of specialized polymers, agrochemicals, and active pharmaceutical ingredients (APIs), where its fluorine substituent imparts unique electronic and metabolic properties. It is primarily utilized by research and development chemists, process engineers, and manufacturers in the pharmaceutical, agrochemical, and specialty polymer industries seeking to develop novel compounds with enhanced performance characteristics.

Application

  • Pharmaceutical Intermediates: Key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those targeting central nervous system (CNS) disorders and anti-inflammatory agents.
  • Agrochemical Synthesis: Building block for novel herbicides, fungicides, and insecticides, where the fluorine atom enhances biological activity and environmental stability.
  • Polyurethane & Polymer Chemistry: Monomer for producing specialty polyurethanes, polyureas, and other polymers with tailored properties like chemical resistance and thermal stability.
  • Chemical Research & Development: Essential reagent in medicinal chemistry and material science for structure-activity relationship (SAR) studies and novel compound library generation.
  • Ligand & Catalyst Development: Used to synthesize specialized ligands for metal-organic frameworks (MOFs) and asymmetric catalysis.
  • Surface Modification & Coatings: Agent for modifying material surfaces to introduce specific functional groups for adhesion promotion or biocompatibility.

Basic Information

Product Name 3-Fluorophenyl Isocyanate
CAS No. 404-71-7
Molecular Formula C7H4FNO
Molecular Weight 137.11 g/mol
Synonyms m-Fluorophenyl Isocyanate; 3-Fluoro-1-isocyanatobenzene; 1-Fluoro-3-isocyanatobenzene; Isocyanic Acid, 3-Fluorophenyl Ester; m-Fluorophenyl Isocyanate; 3-Fluorophenylcarbimide; 3-Fluorobenzene Isocyanate; 404-71-7 (CAS)
EINECS 206-972-3

Quality Control

Our 3-Fluorophenyl Isocyanate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including chromatography and spectroscopy, to ensure high purity and consistency. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at temperatures between 2°C and 8°C (refrigerated) or as specified on the label. Due to its moisture-sensitive (hygroscopic) nature, containers must be kept tightly sealed under a dry inert atmosphere (e.g., nitrogen or argon) to prevent hydrolysis and degradation. Keep away from heat, sparks, open flames, and incompatible materials such as alcohols, amines, and strong bases.

Specification

Item Specification
Appearance Clear, colorless to pale yellow liquid
Identification (IR) Conforms to structure
Assay (HPLC) ≥ 98.0%
Water Content (KF) ≤ 0.1%
Density (at 20°C) ~1.22 g/cm³
Boiling Point ~78-80°C (at 10 mmHg)

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

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