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Methyl 4-Methyl-3-(Trifluoromethyl)Benzoate CAS NO 116419-94-4
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CAS No.:116419-94-4
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Methyl 4-Methyl-3-(Trifluoromethyl)Benzoate is a high-purity fluorinated aromatic ester building block of significant commercial importance. Its core value lies in its trifluoromethyl group, which imparts unique electronic and steric properties critical for modulating the biological activity and physicochemical characteristics of target molecules. This compound is primarily needed by research and development chemists in the pharmaceutical and agrochemical industries for the synthesis of advanced intermediates and active ingredients.
Application
- Pharmaceutical Intermediate: A key synthon in the research and development of novel active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, metabolic diseases, and oncology.
- Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances lipophilicity and metabolic stability.
- Liquid Crystal & OLED Materials: Serves as a precursor for fluorinated components in electronic display materials and organic light-emitting diodes (OLEDs), improving performance and durability.
- Polymer & Specialty Chemicals: Employed as a monomer or modifier in the synthesis of specialty polymers, coatings, and high-performance materials requiring specific fluorine-based properties.
- Chemical Research & Development: A versatile building block in medicinal chemistry and process chemistry for structure-activity relationship (SAR) studies and route scouting.
- Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of bespoke compounds and scaled-up processes.
Basic Information
| Product Name | Methyl 4-Methyl-3-(Trifluoromethyl)Benzoate |
| CAS No. | 116419-94-4 |
| Molecular Formula | C10H9F3O2 |
| Molecular Weight | 218.17 g/mol |
| Synonyms | 3-(Trifluoromethyl)-4-methylbenzoic acid methyl ester; Methyl 3-(trifluoromethyl)-p-toluate; 4-Methyl-3-(trifluoromethyl)benzoic acid methyl ester; Benzoic acid, 4-methyl-3-(trifluoromethyl)-, methyl ester; Methyl 4-methyl-3-trifluoromethylbenzoate |
| EINECS | Contact for details |
Quality Control
Our Methyl 4-Methyl-3-(Trifluoromethyl)Benzoate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high chemical purity and consistent performance. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality assurance and regulatory needs.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). Keep away from strong bases and incompatible materials such as strong oxidizing agents. For long-term storage, consider under an inert atmosphere to maintain optimal purity.
Specification
| Item | Specification |
|---|---|
| Appearance | Colorless to pale yellow liquid 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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