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Methyl 3-Cyano-6-Chloro-2-Fluorobenzoate CAS NO 1805111-00-5


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CAS No.:1805111-00-5

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

Methyl 3-Cyano-6-Chloro-2-Fluorobenzoate is a high-purity, multi-functional aromatic ester building block designed for advanced organic synthesis. This compound is critical for the development of novel active pharmaceutical ingredients (APIs) and agrochemicals, where its unique halogenated and nitrile-substituted benzoate structure enables precise molecular modifications. It is primarily sought by research and development chemists and process engineers in the pharmaceutical, agrochemical, and specialty chemical industries.

Application

  • Pharmaceutical Intermediate: A key precursor in the synthesis of complex drug molecules, particularly those targeting central nervous system (CNS) disorders, anti-inflammatory agents, and kinase inhibitors.
  • Agrochemical Synthesis: Serves as a versatile building block for creating novel herbicides, fungicides, and insecticides with enhanced efficacy and selectivity.
  • Liquid Crystal & OLED Material Research: Used in the development of advanced electronic materials due to its fluorinated aromatic core, which can influence dielectric properties and molecular alignment.
  • Organic Ligand & Catalyst Development: The nitrile and ester functional groups make it a suitable candidate for constructing complex chelating ligands used in catalysis.
  • Custom Synthesis & Contract Manufacturing: An essential starting material for custom synthesis projects requiring halogenated aromatic esters with additional reactive handles for further functionalization.

Basic Information

Product Name Methyl 3-Cyano-6-Chloro-2-Fluorobenzoate
CAS No. 1805111-00-5
Molecular Formula C9H5ClFNO2
Molecular Weight 213.59 g/mol
Synonyms Methyl 6-Chloro-2-fluoro-3-cyanobenzoate; 2-Fluoro-6-chloro-3-cyanobenzoic Acid Methyl Ester; Benzoic acid, 3-cyano-6-chloro-2-fluoro-, methyl ester; Methyl 2-fluoro-6-chloro-3-cyanobenzoate; 3-Cyano-6-chloro-2-fluorobenzoic acid methyl ester
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Quality Control

Our production of Methyl 3-Cyano-6-Chloro-2-Fluorobenzoate adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. We provide detailed Certificates of Analysis (COA) with every shipment, documenting all critical quality attributes. Our commitment to cGMP principles and ISO 9001 standards ensures reliable supply for your most demanding R&D and scale-up projects.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. The container must be kept tightly sealed due to the light-sensitive nature of the compound.

Specification

Item Specification
Appearance White to off-white crystalline powder
Identification (IR) Conforms to structure
Identification (HPLC) Conforms to reference standard
Assay (HPLC) ≥98.0%
Related Substances (HPLC) Total impurities ≤2.0%
Any single impurity ≤0.5%
Residual Solvents (GC) Meets ICH Q3C guidelines
Water Content (KF) ≤0.5%

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

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