Description

4-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 essential for researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors who require a reliable, high-purity intermediate for synthesizing complex molecules and functional materials.

Application

• Pharmaceutical Intermediate: A key precursor in Suzuki, Stille, and other palladium-catalyzed cross-coupling reactions to create novel active pharmaceutical ingredients (APIs), especially those incorporating fluorine for enhanced metabolic stability and bioavailability.
• Agrochemical Synthesis: Used in the development of advanced herbicides, fungicides, and pesticides, where the trifluoromethyl group can improve lipophilicity and biological activity.
• Liquid Crystal & OLED Materials: Serves as a building block for fluorine-containing organic electronic materials, contributing to the tuning of charge transport, solubility, and emission properties.
• Ligand & Catalyst Development: Employed in the synthesis of specialized ligands and organometallic catalysts for asymmetric synthesis and other catalytic processes.
• Chemical Research & Development: A valuable reagent in academic and industrial R&D for exploring new synthetic methodologies and creating compound libraries for screening.
• Fluorine Chemistry Studies: Used as a model substrate to study the electronic effects of the CF3 group on aromatic substitution and other reaction pathways.

Basic Information

Product Name	4-Iodobenzotrifluoride
CAS No.	455-13-0
Molecular Formula	C7H4F3I
Molecular Weight	271.01 g/mol
Synonyms	1-Iodo-4-(trifluoromethyl)benzene; p-Iodobenzotrifluoride; α,α,α-Trifluoro-4-iodotoluene; 4-(Trifluoromethyl)iodobenzene; p-(Trifluoromethyl)iodobenzene; 4-Iodo-α,α,α-trifluorotoluene; Iodobenzotrifluoride; 4-CF3-C6H4-I
EINECS	Contact for details

Quality Control

Our 4-Iodobenzotrifluoride is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including GC, HPLC, and NMR, to ensure high chemical purity and identity. We provide a detailed Certificate of Analysis (COA) with every shipment, documenting key parameters such as assay and impurity profiles. Our quality commitment aligns with cGMP principles for advanced intermediates, ensuring traceability, consistency, and reliability for your critical synthesis workflows.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area away from incompatible materials such as strong acids and organic solvents. Recommended storage temperature is between 2°C and 25°C. Keep container tightly sealed when not in use to prevent moisture absorption and degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC/HPLC)	≥ 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.