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3-Methyl-5-(Trifluoromethyl)Benzoic Acid CAS NO 117186-02-4


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CAS No.:117186-02-4

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

3-Methyl-5-(Trifluoromethyl)Benzoic Acid is a high-value fluorinated benzoic acid derivative, serving as a critical building block in advanced organic synthesis. Its unique structure, featuring both a methyl and a trifluoromethyl group on the aromatic ring, makes it indispensable for introducing lipophilicity and metabolic stability into target molecules. This compound is primarily sought after by pharmaceutical and agrochemical R&D teams for the development of novel active ingredients, as well as by material scientists exploring specialty polymers and liquid crystals.

Application

  • Pharmaceutical Intermediate: A key synthon for the preparation of active pharmaceutical ingredients (APIs), particularly in drug discovery programs targeting central nervous system (CNS) disorders, inflammation, and oncology.
  • Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances biological activity and environmental persistence.
  • Liquid Crystal Materials: Acts as a core component or side-chain modifier in the synthesis of fluorinated liquid crystals for high-performance displays.
  • Polymer Chemistry: Incorporated as a monomer or additive to create specialty polymers with improved chemical resistance, thermal stability, and surface properties.
  • Organic Electronic Materials: Serves as a precursor for electron-transport materials or ligands in OLEDs and other organic semiconductor devices.
  • Chemical Research & Development: A versatile reagent for medicinal chemistry, facilitating structure-activity relationship (SAR) studies and lead optimization.

Basic Information

Product Name 3-Methyl-5-(Trifluoromethyl)Benzoic Acid
CAS No. 117186-02-4
Molecular Formula C9H7F3O2
Molecular Weight 204.15 g/mol
Synonyms 3-Methyl-5-(trifluoromethyl)benzoic acid; 5-(Trifluoromethyl)-m-toluic acid; m-Toluic acid, 5-(trifluoromethyl)-; Benzoic acid, 3-methyl-5-(trifluoromethyl)-; 3-Methyl-α,α,α-trifluoro-m-toluic acid; 117186-02-4; 3-Methyl-5-trifluoromethylbenzoic acid
EINECS Contact for details

Quality Control

Our 3-Methyl-5-(Trifluoromethyl)Benzoic Acid is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and KF titration for moisture content, to ensure it meets the stringent requirements of our global clientele. Certificates of Analysis (COA) with full traceability are provided and can be tailored to meet specific customer or regulatory standards (e.g., ICH guidelines).

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). This product is hygroscopic (moisture-sensitive); keep the container tightly sealed in a dry environment to prevent degradation. Keep away from strong bases and oxidizing agents.

Specification

Item Specification
Appearance White to off-white crystalline powder
Identification (IR) Conforms to structure
Purity (HPLC) ≥ 98.0%
Melting Point Contact for details
Loss on Drying ≤ 0.5%
Heavy Metals ≤ 20 ppm
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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