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Methyl 4-Fluoro-3-(Trifluoromethyl)Benzoate CAS NO 176694-36-3


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CAS No.:176694-36-3

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

Methyl 4-Fluoro-3-(Trifluoromethyl)Benzoate is a high-value fluorinated aromatic ester building block essential for advanced organic synthesis. Its unique structure, featuring both fluorine and trifluoromethyl substituents, is critical for modulating the lipophilicity, metabolic stability, and binding affinity of target molecules. This compound is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries for the creation of novel active ingredients.

Application

  • Pharmaceutical Intermediate: A key synthon in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, oncology, and inflammatory diseases.
  • Agrochemical Research: Used in the development of next-generation herbicides, fungicides, and insecticides, where the fluorine motifs enhance biological activity and environmental persistence.
  • Liquid Crystal & OLED Materials: Serves as a precursor in the manufacture of fluorinated liquid crystals and organic light-emitting diode (OLED) materials, contributing to improved electronic properties and device performance.
  • Polymer Chemistry: Employed as a monomer or modifier to introduce fluorine into polymer backbones, yielding materials with enhanced chemical resistance, thermal stability, and low surface energy.
  • Chemical Synthesis: Acts as a versatile building block for further functionalization, including hydrolysis to the corresponding acid, transesterification, or coupling reactions to construct more complex molecular architectures.

Basic Information

Product Name Methyl 4-Fluoro-3-(Trifluoromethyl)Benzoate
CAS No. 176694-36-3
Molecular Formula C9H6F4O2
Molecular Weight 222.14 g/mol
Synonyms 4-Fluoro-3-(trifluoromethyl)benzoic acid methyl ester; Methyl 4-fluoro-α,α,α-trifluoro-m-toluate; Benzoic acid, 4-fluoro-3-(trifluoromethyl)-, methyl ester; 3-(Trifluoromethyl)-4-fluorobenzoic acid methyl ester; Methyl 3-trifluoromethyl-4-fluorobenzoate; m-Toluic acid, 4-fluoro-α,α,α-trifluoro-, methyl ester
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Quality Control

Every batch of Methyl 4-Fluoro-3-(Trifluoromethyl)Benzoate is produced and tested under a strict quality management system. We guarantee high-purity material suitable for demanding research and scale-up applications. Comprehensive analytical testing, including HPLC, GC, NMR, and IR spectroscopy, is performed to verify identity and purity. A detailed Certificate of Analysis (COA) is provided with each shipment to ensure full traceability and compliance with your specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from strong acids, strong bases, and strong oxidizing agents. For long-term storage, consider storing under an inert atmosphere.

Specification

Item Specification
Appearance White to off-white crystalline powder or solid
Identification (IR) Conforms to structure
Purity (HPLC) ≥ 98.0%
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.

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