Description

5-Iodo-2-(Trifluoromethyl)Benzyl Bromide CAS NO 1261682-47-6 is a high-value, multi-functional halogenated aromatic building block. Its molecular structure, featuring both iodine and bromine substituents on a trifluoromethylated benzene ring, makes it a critical intermediate for constructing complex molecules in advanced research and development. This compound is primarily sought after by pharmaceutical, agrochemical, and material science industries for applications in cross-coupling reactions, ligand synthesis, and the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders and oncology.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides, leveraging the trifluoromethyl group for enhanced bioactivity and metabolic stability.
• Material Science & OLED Development: Serves as a building block for creating specialized organic ligands and charge-transport materials used in organic light-emitting diodes (OLEDs) and electronic devices.
• Cross-Coupling Reactions: The iodine and bromine atoms provide orthogonal reactivity for sequential Suzuki, Sonogashira, and Buchwald-Hartwig amination reactions to build complex molecular architectures.
• Ligand & Catalyst Preparation: Utilized in the synthesis of sophisticated phosphine or N-heterocyclic carbene (NHC) ligands for asymmetric catalysis.
• Fluorine Chemistry Research: An essential reagent for studying the effects of fluorine substitution on molecular properties like lipophilicity, bioavailability, and chemical stability.

Basic Information

Product Name	5-Iodo-2-(Trifluoromethyl)Benzyl Bromide
CAS No.	1261682-47-6
Molecular Formula	C8H5BrF3I
Molecular Weight	374.93 g/mol
Synonyms	1-(Bromomethyl)-5-iodo-2-(trifluoromethyl)benzene; (5-Iodo-2-(trifluoromethyl)phenyl)methyl bromide; α-Bromo-5-iodo-α,α,α-trifluoro-o-xylene; 2-(Trifluoromethyl)-5-iodobenzyl bromide; 5-Iodo-α-(bromomethyl)-2-(trifluoromethyl)benzene; Bromo(5-iodo-2-(trifluoromethyl)phenyl)methane
EINECS	Contact for details

Quality Control

Every batch of 5-Iodo-2-(Trifluoromethyl)Benzyl Bromide is manufactured and tested under a strict quality management system. We ensure compliance with relevant industry standards, and our quality control protocols include advanced analytical techniques to verify identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing purity (typically ≥95% by HPLC/NMR), physical characteristics, and impurity profiles is provided with each shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent decomposition. Keep away from strong acids and incompatible organic solvents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Purity (NMR)	≥ 95.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Complies with ICH guidelines
Water Content (KF)	< 0.5%

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