Description

2-Iodobenzotrifluoride is a versatile halogenated aromatic building block, specifically an iodobenzene derivative bearing a trifluoromethyl group. This compound is valued for its unique reactivity profile, where the iodine atom serves as an excellent site for cross-coupling reactions, while the electron-withdrawing trifluoromethyl group significantly influences the electronic properties of the aromatic ring. It is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for synthesizing advanced intermediates, active ingredients, and functional materials. Its utility extends to materials science for creating specialized polymers and liquid crystals.

Application

• Pharmaceutical Intermediate: A key precursor in Suzuki, Stille, and other palladium-catalyzed cross-coupling reactions to introduce the benzotrifluoride moiety into drug candidates, particularly those targeting central nervous system (CNS) disorders and anti-inflammatory applications.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides, where the CF3 group enhances biological activity, metabolic stability, and lipophilicity.
• Liquid Crystal & OLED Materials: Serves as a building block for fluorine-containing mesogens and electron-transport materials in display technologies and organic light-emitting diodes (OLEDs).
• Functional Polymer Monomer: Incorporated into specialty polymers to impart unique chemical resistance, thermal stability, and optical properties.
• Organic Synthesis & Catalysis: Employed as a substrate in fundamental research for developing new catalytic methodologies and synthesizing complex, fluorinated organic molecules.
• Radiolabeling Precursor: Potential use as a starting material for introducing iodine-123 or iodine-125 isotopes in radiopharmaceuticals for diagnostic imaging.

Basic Information

Product Name	2-Iodobenzotrifluoride
CAS No.	444-29-1
Molecular Formula	C7H4F3I
Molecular Weight	271.01 g/mol
Synonyms	1-Iodo-2-(trifluoromethyl)benzene; α,α,α-Trifluoro-o-iodotoluene; o-Iodobenzotrifluoride; 2-(Trifluoromethyl)iodobenzene; o-(Trifluoromethyl)iodobenzene; 2-Iodo-α,α,α-trifluorotoluene; Benzene, 1-iodo-2-(trifluoromethyl)-; Iodotrifluoromethylbenzene (isomeric)
EINECS	207-150-7

Quality Control

Our 2-Iodobenzotrifluoride is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing to ensure high purity and consistency, meeting the exacting standards required for research and process chemistry. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with each shipment. We support compliance with global regulatory frameworks, including REACH.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, containers should be amber glass or otherwise opaque.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 98.0%
Water Content (KF)	≤ 0.1%
Related Substances (GC)	Individual impurity ≤ 0.5%, Total impurities ≤ 1.0%

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