Description

3-Iodo-4-Methylbenzotrifluoride is a versatile halogenated aromatic building block characterized by its trifluoromethyl and iodo substituents, which impart unique reactivity and physicochemical properties. This compound is essential for advanced organic synthesis, particularly in cross-coupling reactions and as a precursor for functional materials. It is primarily utilized by research institutions and industrial manufacturers in the pharmaceutical, agrochemical, and specialty chemical sectors for developing novel active ingredients and high-performance intermediates.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the synthesis of active pharmaceutical ingredients (APIs), especially for compounds requiring a trifluoromethylphenyl moiety.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and pesticides, leveraging the stability and bioactivity of the benzotrifluoride core.
• Material Science Precursor: Acts as a monomer or building block for creating 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 to form complex biaryl structures.
• Chemical Research & Development: Employed in academic and industrial R&D labs for exploring new synthetic methodologies and creating compound libraries.
• Dye and Pigment Intermediate: Utilized in the synthesis of specialized dyes and pigments where the trifluoromethyl group enhances lightfastness and chemical resistance.

Basic Information

Product Name	3-Iodo-4-Methylbenzotrifluoride
CAS No.	13055-62-4
Molecular Formula	C8H6F3I
Molecular Weight	286.04 g/mol
Synonyms	1-Iodo-2-methyl-5-(trifluoromethyl)benzene; 2-Methyl-α,α,α-trifluoro-5-iodotoluene; 3-Iodo-4-methyl-α,α,α-trifluorotoluene; 5-Iodo-2-methylbenzotrifluoride; 4-Methyl-3-iodobenzotrifluoride; 2-Methyl-5-iodobenzotrifluoride; 5-Iodo-2-methyl-α,α,α-trifluorotoluene
EINECS	Contact for details

Quality Control

Our 3-Iodo-4-Methylbenzotrifluoride is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including chromatography and spectroscopy, to ensure high purity and consistency. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are available upon request to support your quality assurance and regulatory compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from strong acids and incompatible materials such as strong bases and oxidizing agents. The container should be kept tightly sealed to prevent moisture absorption and degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Heavy Metals	< 10 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.