Description

2-Bromo-2-(6-Chlorophenyl-2,3,4,5-D4)-Cyclohexanone is a high-purity, deuterated organic building block of significant interest in advanced chemical synthesis. This compound is specifically valued for its role as a labeled intermediate in pharmaceutical research and development, enabling critical studies in drug metabolism and pharmacokinetics (DMPK). It is primarily utilized by research institutions and pharmaceutical companies engaged in the synthesis of novel active pharmaceutical ingredients (APIs) and the development of analytical standards.

Application

• Deuterated Pharmaceutical Intermediate: A key building block for the synthesis of deuterium-labeled drug candidates, enhancing metabolic stability and enabling tracer studies.
• Metabolic Research: Used in the preparation of internal standards for Liquid Chromatography-Mass Spectrometry (LC-MS) to accurately quantify metabolites in biological matrices.
• Mechanistic Studies: Facilitates investigation of reaction mechanisms and metabolic pathways through isotopic labeling.
• Analytical Standard Development: Serves as a certified reference material (CRM) for method validation and quality control in analytical laboratories.
• Organic Synthesis Research: Employed in academic and industrial R&D for exploring new synthetic routes involving halogenated and deuterated ketones.

Basic Information

Product Name	2-Bromo-2-(6-Chlorophenyl-2,3,4,5-D4)-Cyclohexanone
CAS No.	1336986-08-3
Molecular Formula	C12H9BrClD4O
Molecular Weight	285.61 g/mol (for deuterated form)
Synonyms	2-Bromo-2-(6-chlorophenyl-2,3,4,5-d4)cyclohexan-1-one; 2-Bromo-2-(6-chloro-d4-phenyl)cyclohexanone; 6-Chlorophenyl-2,3,4,5-d4-2-bromocyclohexanone; Deuterated 2-Bromo-2-(6-chlorophenyl)cyclohexanone; (6-Chloro-d4-phenyl)-2-bromocyclohexanone; Bromo(chloro-d4-phenyl)cyclohexanone
EINECS	Contact for details

Quality Control

Our deuterated compounds are produced under strict quality management systems to ensure batch-to-batch consistency and high isotopic purity. Each lot is characterized using advanced analytical techniques including NMR (¹H, ¹³C, ²H) and High-Resolution Mass Spectrometry (HRMS) to confirm structure and isotopic enrichment. Certificates of Analysis (COA) detailing purity, chemical purity, deuterium incorporation, and impurity profiles are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C for long-term stability. The compound is moisture-sensitive; keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) when not in use to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chemical Purity (by GC/HPLC)	≥ 97.0%
Deuterium Incorporation (²H NMR)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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