Description

2,5-Cyclohexadiene-1-Acetonitrile, 1-(Acetyloxy)-3,5-Dibromo-4-Oxo- is a specialized brominated and acetylated cyclohexadiene derivative with a reactive nitrile functional group. This unique molecular architecture makes it a valuable advanced pharmaceutical intermediate (API intermediate) and a versatile building block for synthesizing complex organic molecules. It is primarily utilized by research institutions, pharmaceutical R&D departments, and fine chemical manufacturers engaged in the development of novel active compounds and high-value specialty chemicals.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel drug candidates, particularly those requiring a brominated, functionalized cyclohexadiene core.
• Organic Synthesis Building Block: Used in research-scale and pilot-scale reactions to construct complex heterocyclic compounds or to introduce specific functional groups via the reactive nitrile and acetyloxy moieties.
• Agrochemical Research: Acts as a key intermediate in the development of new crop protection agents and herbicides, where its structural features can contribute to biological activity.
• Material Science Research: Investigated as a monomer or precursor for specialty polymers and advanced materials with specific optical or electronic properties.
• Academic & Industrial R&D: Employed in methodological studies, catalysis research, and the exploration of new chemical transformations in synthetic organic chemistry.

Basic Information

Item	Detail
Product Name	2,5-Cyclohexadiene-1-Acetonitrile, 1-(Acetyloxy)-3,5-Dibromo-4-Oxo-
CAS No.	84713-43-9
Molecular Formula	C10H7Br2NO3
Molecular Weight	348.98 g/mol
Synonyms	1-(Acetyloxy)-3,5-dibromo-4-oxo-2,5-cyclohexadiene-1-acetonitrile; 3,5-Dibromo-4-oxo-1-cyclohexadien-1-yl acetate acetonitrile; 4-Oxo-3,5-dibromo-1-cyclohexadienyl acetate acetonitrile; 1-Acetoxy-3,5-dibromo-4-oxo-2,5-cyclohexadiene-1-acetonitrile; (1-Acetoxy-3,5-dibromo-4-oxo-2,5-cyclohexadien-1-yl)acetonitrile
EINECS	Contact for details

Quality Control

Our production of 2,5-Cyclohexadiene-1-Acetonitrile, 1-(Acetyloxy)-3,5-Dibromo-4-Oxo- adheres to stringent internal quality standards to ensure batch-to-batch consistency and reliability for your critical R&D and synthesis processes. Each lot is analyzed using advanced techniques such as HPLC, GC, NMR, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (typically 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
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	≤ 20 ppm

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