Description

4-Iodo-3-Trifluoromethyl-Benzoic Acid Methyl Ester is a high-value fluorinated and iodinated aromatic building block essential for advanced organic synthesis. Its unique structure, featuring both a trifluoromethyl group and an iodine substituent, makes it a critical intermediate for introducing these functional motifs into target molecules. This compound is primarily utilized by researchers and process chemists in the pharmaceutical and agrochemical industries for the development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, inflammation, and oncology.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances biological activity and metabolic stability.
• Material Science: Acts as a monomer or functionalization agent in the creation of specialty polymers, liquid crystals, and organic electronic materials.
• Cross-Coupling Reactions: The iodine atom provides an excellent handle for versatile palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Sonogashira) to construct complex biaryl systems.
• Fluorine Chemistry: A valuable source of the -CF3 moiety for medicinal chemistry programs aiming to improve drug potency, lipophilicity, and bioavailability.
• Chemical Biology: Employed as a probe or labeling reagent due to the reactivity of the iodine atom for further derivatization.

Basic Information

Product Name	4-Iodo-3-Trifluoromethyl-Benzoic Acid Methyl Ester
CAS No.	1261880-87-8
Molecular Formula	C9H6F3IO2
Molecular Weight	330.04 g/mol
Synonyms	Methyl 4-Iodo-3-(trifluoromethyl)benzoate; Benzoic acid, 4-iodo-3-(trifluoromethyl)-, methyl ester; 4-Iodo-α,α,α-trifluoro-m-toluic acid methyl ester; Methyl 4-iodo-α,α,α-trifluoro-m-toluate; 3-Trifluoromethyl-4-iodobenzoic acid methyl ester
EINECS	Contact for details

Quality Control

Our 4-Iodo-3-Trifluoromethyl-Benzoic Acid Methyl Ester is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with every shipment, confirming compliance with customer specifications and industry best practices for fine chemical intermediates.

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. This material is light-sensitive (store away from light).

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥97.0% (Area %)
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.