Description

3-Iodobenzotrifluoride is a versatile halogenated aromatic building block, specifically an iodobenzene derivative bearing a trifluoromethyl group. This combination of iodine and fluorine atoms makes it a valuable intermediate for introducing both iodine and trifluoromethyl functionalities into more complex molecular architectures. It is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries. The compound is essential for cross-coupling reactions and as a precursor in the synthesis of advanced materials and active ingredients.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing active pharmaceutical ingredients (APIs), particularly in drug discovery programs targeting new therapeutic agents.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides, herbicides, and fungicides that require the trifluoromethyl group for enhanced efficacy and stability.
• Material Science: Serves as a precursor for liquid crystals, organic semiconductors, and other specialty polymers where the introduction of fluorine atoms modifies electronic properties.
• Cross-Coupling Reactions: An excellent substrate for palladium-catalyzed reactions like Suzuki, Sonogashira, and Heck couplings, enabling the formation of new carbon-carbon bonds.
• Chemical Research: Employed in academic and industrial R&D labs as a standard reagent for methodological development and exploring new synthetic pathways.
• Ligand and Catalyst Preparation: Used to synthesize specialized ligands and organometallic catalysts for asymmetric synthesis and other catalytic processes.

Basic Information

Product Name	3-Iodobenzotrifluoride
CAS No.	401-81-0
Molecular Formula	C7H4F3I
Molecular Weight	271.01 g/mol
Synonyms	1-Iodo-3-(trifluoromethyl)benzene; m-Iodobenzotrifluoride; 3-(Trifluoromethyl)iodobenzene; α,α,α-Trifluoro-m-iodotoluene; m-Trifluoromethylphenyl iodide; 3-CF3C6H4I; Benzene, 1-iodo-3-(trifluoromethyl)-; 3-Iodo-α,α,α-trifluorotoluene
EINECS	206-934-5

Quality Control

Our 3-Iodobenzotrifluoride is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing to ensure high purity and consistency, meeting the stringent requirements of advanced synthetic applications. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment. We adhere to relevant industry standards and can support custom purity specifications for research and commercial-scale projects.

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 strong acids and incompatible materials. Due to its light-sensitive nature, prolonged exposure to light should be avoided to maintain product integrity.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 98.0%
Water Content (KF)	≤ 0.5%

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