Description

2,5-Cyclohexadien-1-One, 2-Chloro-4-Fluoro-4,5-Dimethyl- is a halogenated cyclohexadienone derivative, a key building block in advanced organic synthesis. This compound is valued for its unique molecular scaffold, which enables the construction of complex fluorinated and chlorinated target molecules. It is primarily utilized by research institutions and industrial R&D departments in the pharmaceutical and agrochemical sectors for the development of novel active ingredients. The CAS number for this compound is 246229-00-5.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel drug candidates, particularly those requiring specific halogen substitution patterns for bioactivity.
• Agrochemical Research: Used in the development of next-generation herbicides, fungicides, and pesticides, where the fluorine and chlorine atoms enhance compound stability and efficacy.
• Material Science: Acts as a monomer or functionalizing agent in the creation of specialty polymers and advanced organic materials with tailored properties.
• Chemical Synthesis: Functions as a versatile synthon in academic and industrial laboratories for constructing complex, poly-substituted cyclic frameworks.
• Ligand & Catalyst Development: Provides a structural basis for designing novel ligands and organocatalysts used in asymmetric synthesis and other catalytic processes.

Basic Information

Product Name	2,5-Cyclohexadien-1-One, 2-Chloro-4-Fluoro-4,5-Dimethyl-
CAS No.	246229-00-5
Molecular Formula	C8H8ClFO
Molecular Weight	174.60 g/mol
Synonyms	2-Chloro-4-fluoro-4,5-dimethyl-2,5-cyclohexadien-1-one; 4,5-Dimethyl-2-chloro-4-fluoro-2,5-cyclohexadien-1-one; 2-Chloro-4-fluoro-4,5-dimethylcyclohexa-2,5-dien-1-one; Halogenated Cyclohexadienone Derivative; 246229-00-5; 2-Chloro-4-fluoro-4,5-dimethyl-1,4-cyclohexadien-3-one (alternative numbering)
EINECS	Contact for details

Quality Control

Our production of 2,5-Cyclohexadien-1-One, 2-Chloro-4-Fluoro-4,5-Dimethyl- adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We support cGMP and ISO 9001 standards for research and development materials.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its sensitivity to strong bases and fluorides, keep away from incompatible materials. The container should be kept tightly sealed when not in use to maintain product integrity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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