Description

2-(3-Chlorophenyl)-2-Cyano-1-(3-Pyridinyl-D4)-1-Ethanone is a high-purity, deuterium-labeled chemical building block of significant interest in advanced research and development. This compound is primarily valued for its role as a stable isotope-labeled internal standard in quantitative analytical methods, ensuring unparalleled accuracy and reliability in measurement. It is an essential material for scientists and manufacturers in the pharmaceutical, agrochemical, and analytical chemistry sectors who require precise metabolic and pharmacokinetic studies.

Application

• As a deuterium-labeled internal standard for the accurate quantification of its non-labeled counterpart in complex matrices using LC-MS/MS and GC-MS.
• Critical intermediate in the synthesis of deuterated active pharmaceutical ingredients (APIs) for drug metabolism and pharmacokinetics (DMPK) studies.
• Use in isotope dilution mass spectrometry to achieve high-precision analytical results in environmental and food safety testing.
• Research tool in mechanistic organic chemistry studies to investigate reaction pathways using kinetic isotope effects.
• Building block for developing novel agrochemical compounds with optimized properties in discovery pipelines.

Basic Information

Product Name	2-(3-Chlorophenyl)-2-Cyano-1-(3-Pyridinyl-D4)-1-Ethanone
CAS No.	1189704-85-5
Molecular Formula	C14H7D4ClN2O
Molecular Weight	258.73 g/mol
Synonyms	2-(3-Chlorophenyl)-2-cyano-1-(pyridin-3-yl-d4)ethan-1-one; 1-(Pyridin-3-yl-d4)-2-(3-chlorophenyl)-2-oxoacetonitrile; 3-Chlorobenzoyl(pyridin-3-yl-d4)acetonitrile; 2-Cyano-2-(3-chlorophenyl)-1-(pyridin-3-yl-d4)ethanone; Deuterated 2-(3-Chlorophenyl)-2-cyano-1-(3-pyridinyl)-1-ethanone; [D4]-2-(3-Chlorophenyl)-2-cyano-1-(3-pyridinyl)-1-ethanone
EINECS	Contact for details

Quality Control

Every batch of 2-(3-Chlorophenyl)-2-Cyano-1-(3-Pyridinyl-D4)-1-Ethanone is manufactured under strict quality management systems. We guarantee high chemical and isotopic purity, verified by advanced analytical techniques including NMR, HPLC, and Mass Spectrometry. Certificates of Analysis (COA) detailing purity, isotopic enrichment, and impurity profiles are provided and available upon request to support your regulatory and research documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed in a dry environment to prevent degradation. For long-term storage, consider using desiccants.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D-content, MS)	≥ 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.