Description

Methyl 3-Iodo-4-(Trifluoromethyl)Benzoate is a high-value, multi-functional aromatic building block designed for advanced synthetic chemistry. This compound is engineered to provide a versatile trifluoromethylated and halogenated core, enabling efficient derivatization in complex molecule assembly. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key synthon for constructing drug candidates, particularly those targeting CNS disorders, inflammation, and oncology, leveraging the metabolic stability imparted by the trifluoromethyl group.
• Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides, where the iodine atom serves as a handle for further cross-coupling reactions.
• Material Science Research: Serves as a precursor for liquid crystals, organic semiconductors, and specialty polymers that require fluorinated aromatic units for enhanced electronic or physical properties.
• Chemical Biology & Probe Development: Employed in the synthesis of molecular probes and tags for imaging and diagnostic applications due to its reactive iodine moiety.
• Cross-Coupling Reactions: An excellent substrate for palladium-catalyzed reactions such as Suzuki, Sonogashira, and Heck couplings, facilitating rapid library synthesis.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs and research institutions for custom synthesis projects requiring high-purity, complex intermediates.

Basic Information

Product Name	Methyl 3-Iodo-4-(Trifluoromethyl)Benzoate
CAS No.	1197357-94-0
Molecular Formula	C9H6F3IO2
Molecular Weight	330.04 g/mol
Synonyms	Methyl 3-iodo-4-(trifluoromethyl)benzoate; 3-Iodo-4-(trifluoromethyl)benzoic acid methyl ester; Benzoic acid, 3-iodo-4-(trifluoromethyl)-, methyl ester; Methyl 3-iodo-α,α,α-trifluoro-p-toluate
EINECS	Contact for details

Quality Control

Our production of Methyl 3-Iodo-4-(Trifluoromethyl)Benzoate adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity. Each lot undergoes comprehensive analytical characterization, including HPLC, GC, NMR, and mass spectrometry. A Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment. We support cGMP standards for advanced intermediates and can tailor specifications to meet specific project requirements.

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 is light-sensitive (store away from light).

Specification

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