Description

4-Chlorobenzonitrile-D4 is a deuterated isotopologue of 4-chlorobenzonitrile, where four hydrogen atoms are replaced with deuterium. This compound is a critical stable isotope-labeled standard, essential for ensuring accuracy and reliability in quantitative mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy analyses. It is primarily utilized by researchers and quality control laboratories in the pharmaceutical, agrochemical, and analytical chemistry sectors for method development, internal standardization, and metabolic studies.

Application

• Internal Standard for Mass Spectrometry (MS): Used as a quantitative reference standard in LC-MS and GC-MS analyses to improve data accuracy for 4-chlorobenzonitrile and related compounds.
• Metabolic Pathway Tracing: Employed in pharmaceutical and agrochemical research to study the absorption, distribution, metabolism, and excretion (ADME) of chlorobenzonitrile derivatives.
• NMR Spectroscopy Solvent & Reagent: Serves as a deuterated solvent or a non-interfering standard in complex NMR experiments due to its distinct spectral signature.
• Pharmaceutical Impurity Profiling: Aids in the identification and quantification of process-related impurities and degradation products in active pharmaceutical ingredients (APIs).
• Chemical Synthesis Intermediate: Acts as a labeled building block for the synthesis of more complex deuterated organic molecules for research purposes.
• Environmental Analysis: Used as a labeled surrogate standard in the analysis of environmental samples for chlorinated benzonitrile pollutants.

Basic Information

Product Name	4-Chlorobenzonitrile-D4
CAS No.	1219794-82-7
Molecular Formula	C7D4ClN
Molecular Weight	142.59 g/mol
Synonyms	4-Chloro-D4-benzonitrile; p-Chlorobenzonitrile-D4; Deuteron-p-chlorobenzonitrile; 1-Chloro-4-cyanobenzene-D4; 4-Cyanochlorobenzene-D4; 4-Chlorobenzene-d4-carbonitrile; (2,3,5,6-D4)-4-Chlorobenzonitrile; p-Chlorophenyl-D4 cyanide
EINECS	Contact for details

Quality Control

Our 4-Chlorobenzonitrile-D4 is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including NMR and mass spectrometry, to confirm isotopic purity (typically >98 atom % D) and chemical purity. Certificates of Analysis (COA) detailing batch-specific results are provided to ensure traceability and compliance with your research or quality protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Keep the container sealed to prevent moisture absorption and contamination.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (NMR/MS)	≥ 98 atom % D
Chemical Purity (by HPLC)	≥ 99.0%
Water Content (KF)	≤ 0.5%

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