Description

Methyl 3-(Trifluoromethyl)-5-Iodobenzoate is a high-value, multi-functional aromatic building block characterized by its trifluoromethyl and iodo substituents, which confer unique electronic and steric properties. This compound is essential for facilitating advanced cross-coupling reactions, enabling the efficient synthesis of complex molecules in pharmaceutical and agrochemical research. It is primarily sought after by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and advanced material sectors for constructing novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, inflammation, and oncology.
• Agrochemical Synthesis: Used in the development of next-generation herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances biological activity and metabolic stability.
• Material Science: Serves as a monomer or functionalizing agent in the creation of specialty polymers, liquid crystals, and organic electronic materials.
• Cross-Coupling Reactions: The iodine atom makes it an excellent substrate for palladium-catalyzed reactions like Suzuki, Sonogashira, and Heck couplings, enabling rapid diversification of molecular scaffolds.
• Chemical Biology & Proteomics: Utilized as a tagging or labeling reagent in probe development for studying protein-ligand interactions and cellular processes.
• Organic Synthesis Research: A versatile reagent in academic and industrial laboratories for methodological development and the construction of complex, fluorinated organic molecules.

Basic Information

Product Name	Methyl 3-(Trifluoromethyl)-5-Iodobenzoate
CAS No.	161622-17-9
Molecular Formula	C9H6F3IO2
Molecular Weight	330.04 g/mol
Synonyms	Benzoic acid, 3-(trifluoromethyl)-5-iodo-, methyl ester; Methyl 3-(trifluoromethyl)-5-iodobenzoate; Methyl 5-iodo-3-(trifluoromethyl)benzoate; 5-Iodo-3-(trifluoromethyl)benzoic acid methyl ester; 3-Trifluoromethyl-5-iodobenzoic acid methyl ester
EINECS	Contact for details

Quality Control

Every batch of Methyl 3-(Trifluoromethyl)-5-Iodobenzoate is manufactured and tested under a strict quality management system. We ensure compliance with relevant industry standards for fine chemicals and advanced intermediates. Comprehensive analytical testing, including HPLC, GC, NMR, and mass spectrometry, is performed to verify identity, purity, and consistency. A detailed Certificate of Analysis (COA) is provided with each shipment to guarantee reliable performance in your critical synthetic applications.

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 heat, sparks, and open flame. The compound may be light-sensitive; prolonged exposure to light should be avoided.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Complies with ICH guidelines

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