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3-(Cyanomethyl)-Alpha,Alpha,Alpha,2-Tetrafluoroanisole, 2-Fluoro-3-(Trifluoromethoxy)Benzyl Cyanide CAS NO 1159512-60-3


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CAS No.:1159512-60-3

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

3-(Cyanomethyl)-Alpha,Alpha,Alpha,2-Tetrafluoroanisole, 2-Fluoro-3-(Trifluoromethoxy)Benzyl Cyanide is a high-value, multi-fluorinated aromatic nitrile building block essential for advanced chemical synthesis. This compound matters because its unique trifluoromethoxy and tetrafluoro-substituted benzyl cyanide structure provides exceptional electronic and steric properties for creating novel active molecules. Pharmaceutical, agrochemical, and advanced material researchers need it to develop next-generation products with enhanced metabolic stability, lipophilicity, and bioactivity.

Application

  • Pharmaceutical Intermediate: A critical precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, inflammation, and oncology.
  • Agrochemical Synthesis: Used to construct novel herbicides, fungicides, and insecticides where the fluorine atoms improve compound stability, permeability, and target binding affinity.
  • Liquid Crystal & OLED Material Development: Serves as a key building block for fluorine-containing liquid crystal molecules and organic light-emitting diode (OLED) materials, enhancing electronic properties and device performance.
  • Advanced Polymer Chemistry: Incorporated as a monomer or modifier to create specialty polymers with unique surface properties, chemical resistance, and thermal stability.
  • Fluorinated Ligand Synthesis: Employed in organometallic chemistry to develop sophisticated ligands for catalysis, enabling more efficient and selective chemical transformations.
  • Research & Development (R&D): A versatile scaffold for medicinal chemistry and material science research in academic and industrial laboratories exploring structure-activity relationships (SAR).

Basic Information

Product Name 3-(Cyanomethyl)-Alpha,Alpha,Alpha,2-Tetrafluoroanisole, 2-Fluoro-3-(Trifluoromethoxy)Benzyl Cyanide
CAS No. 1159512-60-3
Molecular Formula C10H5F5NO
Molecular Weight 259.15 g/mol
Synonyms 2-Fluoro-3-(trifluoromethoxy)benzyl cyanide; 2-Fluoro-α-(trifluoromethoxy)benzeneacetonitrile; 1-[2-Fluoro-3-(trifluoromethoxy)phenyl]acetonitrile; 2-Fluoro-3-(trifluoromethoxy)phenylacetonitrile; (2-Fluoro-3-(trifluoromethoxy)phenyl)acetonitrile; α-Cyano-2-fluoro-3-(trifluoromethoxy)toluene; 3-(Cyanomethyl)-α,α,α,2-tetrafluoroanisole; Benzyl cyanide, 2-fluoro-3-(trifluoromethoxy)-
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Quality Control

Our 3-(Cyanomethyl)-Alpha,Alpha,Alpha,2-Tetrafluoroanisole is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high purity and batch-to-batch consistency suitable for demanding R&D and scale-up processes. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality assurance protocols.

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 compound is moisture-sensitive (hygroscopic); keep the container tightly sealed under an inert atmosphere such as nitrogen or argon to prevent degradation. Keep away from strong acids, bases, and oxidizing agents.

Specification

Item Specification
Appearance Colorless to pale yellow liquid or solid
Identification (IR) Conforms to structure
Identification (NMR) Conforms to structure
Purity (HPLC) ≥ 97.0% (Area %)
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.

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