Description

2,5-Cyclohexadien-1-One, 2-Chloro-4,4-Difluoro-6-Methyl- is a specialized halogenated cyclohexadienone derivative, identified by CAS No. 494796-68-8. This compound serves as a versatile and critical building block in advanced organic synthesis, particularly valued for its unique difluoromethyl-chloro substitution pattern. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key synthon for the development of novel active pharmaceutical ingredients (APIs), especially those requiring fluorinated motifs for enhanced metabolic stability and bioavailability.
• Agrochemical Synthesis: Building block for creating advanced herbicides, fungicides, and pesticides where the difluoro and chloro groups contribute to biological activity and environmental persistence profiles.
• Material Science Research: Used in the synthesis of specialized monomers or ligands for advanced polymers and functional materials.
• Organic Synthesis & Method Development: A valuable substrate for exploring new fluorination reactions, cross-coupling methodologies, and cyclization strategies in academic and industrial research.
• Liquid Crystal & Electronic Chemical Precursor: Potential intermediate in the synthesis of fluorinated compounds for electronic applications.

Basic Information

Product Name	2,5-Cyclohexadien-1-One, 2-Chloro-4,4-Difluoro-6-Methyl-
CAS No.	494796-68-8
Molecular Formula	C7H5ClF2O
Molecular Weight	178.57 g/mol
Synonyms	2-Chloro-4,4-difluoro-6-methyl-2,5-cyclohexadien-1-one; 2-Chloro-4,4-difluoro-6-methylcyclohexa-2,5-dien-1-one; 6-Methyl-2-chloro-4,4-difluorocyclohexa-2,5-dien-1-one; Halogenated Cyclohexadienone Derivative; Difluoromethyl Chloro Cyclohexadienone
EINECS	Contact for details

Quality Control

Our production of 2,5-Cyclohexadien-1-One, 2-Chloro-4,4-Difluoro-6-Methyl- adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for sensitive synthetic applications. Each lot is characterized using advanced analytical techniques including HPLC, GC, NMR, and MS. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality and regulatory requirements.

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 strong acids and incompatible organic solvents. Handle and store under an inert atmosphere if prolonged storage is required to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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