Description

Benzene, 5-Bromo-1-Fluoro-2-Iodo-3-Methyl- is a highly functionalized, multi-halogenated benzene derivative designed for advanced synthetic chemistry. This compound serves as a critical, high-value building block for constructing complex molecular architectures in pharmaceutical and agrochemical research. It is primarily utilized by R&D chemists and process development scientists in the life sciences sector for applications such as drug discovery, material science, and the synthesis of specialty chemicals.

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 its unique halogen pattern for bioactivity.
• Material Science Research: Serves as a monomer or functionalization agent in the creation of specialty polymers and liquid crystals with tailored electronic properties.
• Cross-Coupling Reactions: An excellent substrate for palladium-catalyzed reactions (e.g., Suzuki, Sonogashira, Stille) due to the presence of bromo and iodo substituents, allowing for sequential functionalization.
• Fluorine Chemistry: The fluorine atom makes it valuable for studying structure-activity relationships (SAR) and improving metabolic stability in drug candidates.
• Ligand and Catalyst Development: Employed in the synthesis of complex chelating ligands for catalysis and diagnostic imaging agents.

Basic Information

Product Name	Benzene, 5-Bromo-1-Fluoro-2-Iodo-3-Methyl-
CAS No.	1805553-01-8
Molecular Formula	C7H5BrFI
Molecular Weight	314.92 g/mol
Synonyms	5-Bromo-1-fluoro-2-iodo-3-methylbenzene; 3-Bromo-6-fluoro-2-iodotoluene; 1-Bromo-4-fluoro-5-iodo-2-methylbenzene; 2-Bromo-5-fluoro-6-iodotoluene; 5-Bromo-2-fluoro-3-iodotoluene; 2-Fluoro-3-iodo-5-bromotoluene; Multi-halogenated toluene derivative; Halogenated benzene building block
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards for research and development. Every batch is characterized using advanced analytical techniques including HPLC, GC-MS, NMR (1H, 13C, 19F), and elemental analysis to confirm identity, purity, and halogen content. Certificates of Analysis (COA) are available upon request, providing full transparency on batch-specific specifications.

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). Keep the container sealed under an inert atmosphere if prolonged storage is anticipated to minimize potential degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
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.