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1-Bromo-3-Fluoro-4-Iodo-2-Methyl-Benzene CAS NO 1114546-29-0


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CAS No.:1114546-29-0

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

1-Bromo-3-Fluoro-4-Iodo-2-Methyl-Benzene is a high-purity, multi-halogenated aromatic building block of significant interest in advanced organic synthesis. Its unique substitution pattern makes it a versatile and valuable precursor for constructing complex molecular architectures, particularly in pharmaceutical and agrochemical research. This compound is essential for medicinal chemists and process development scientists seeking to introduce specific halogen functionalities for structure-activity relationship (SAR) studies and lead optimization.

Application

  • Pharmaceutical Intermediate: A key building block for the synthesis of active pharmaceutical ingredients (APIs), especially in the development of novel drug candidates targeting central nervous system (CNS) disorders, oncology, and anti-infectives.
  • Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and pesticides, where the halogen atoms contribute to biological activity and metabolic stability.
  • Material Science Precursor: Serves as a monomer or functionalization agent in the development of specialty polymers, liquid crystals, and organic electronic materials.
  • Cross-Coupling Reactions: An excellent substrate for various palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Stille, Sonogashira) due to the presence of bromine and iodine, allowing for sequential and selective functionalization.
  • Chemical Research & Development: Employed in academic and industrial R&D labs for methodological studies in halogen dance reactions, directed ortho-metalation, and the synthesis of complex polycyclic aromatic compounds.
  • Ligand and Catalyst Development: Useful for synthesizing novel halogenated ligands for catalysis or as a scaffold for creating metal-organic frameworks (MOFs).

Basic Information

Product Name 1-Bromo-3-Fluoro-4-Iodo-2-Methyl-Benzene
CAS No. 1114546-29-0
Molecular Formula C7H5BrFI
Molecular Weight 314.92 g/mol
Synonyms 2-Methyl-1-bromo-3-fluoro-4-iodobenzene; 4-Bromo-2-fluoro-5-iodo-1-methylbenzene; 3-Fluoro-4-iodo-2-methylbromobenzene; 1-Bromo-3-fluoro-4-iodo-o-xylene; Benzene, 1-bromo-3-fluoro-4-iodo-2-methyl-; BFIMB (common abbreviation)
EINECS Contact for details

Quality Control

Our 1-Bromo-3-Fluoro-4-Iodo-2-Methyl-Benzene is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high chemical purity and identity confirmation. Certificates of Analysis (COA) detailing purity, impurity profiles, and physical characteristics are available for every shipment. We are committed to providing material that meets the stringent requirements of research and development as well as scale-up processes.

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 heat, sparks, and open flame. Due to its light-sensitive nature, handling and packaging should minimize exposure to direct light.

Specification

Item Specification
Appearance White to off-white crystalline powder
Identification (IR) Conforms to structure
Purity (HPLC) ≥ 98.0%
Melting Point Contact for details
Heavy Metals < 10 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.

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