3-Chloroaniline-2,4,6-d3 | CAS 347840-11-3

OVERVIEW
3-Chloroaniline-2,4,6-d₃ is a deuterium-labelled derivative of 3-chloroaniline in which the hydrogen atoms at the 2, 4, and 6 positions of the aromatic ring are replaced by deuterium. This isotopic substitution introduces a +3 Da mass shift while preserving the identical chemical and physical properties of the parent compound.

It serves as a high-quality stable isotope reference material widely used in analytical chemistry, mass spectrometry, and research applications. Its deuterium labelling enables precise differentiation from the native molecule during MS or MS/MS analysis, making it an essential standard for quantitative and comparative studies involving chlorinated anilines.

3-Chloroaniline-2,4,6-d₃ offers excellent isotopic enrichment, chemical purity, and analytical stability. It supports reliable method development, calibration, and validation in laboratories engaged in environmental monitoring, industrial hygiene, and toxicological assessments.

 INFORMATION

• Name: 3-Chloroaniline-2,4,6-d3

• CAS Number: 347840-11-3

• Molecular Formula: C₆H₂D₃ClNH₂

• Molecular Weight: 130.59 g/mol

• Isotopic Enrichment: ≥ 98 atom % D

• Solubility: Slightly soluble in water; soluble in organic solvents such as ethanol, acetone, ether, and chloroform

The molecule maintains the aromatic amine structure of 3-chloroaniline with a chlorine atom in the meta position relative to the amino group. The replacement of hydrogens at the 2, 4, and 6 ring positions with deuterium preserves electronic properties and polarity while providing distinct isotopic labeling for analytical detection.

APPLICATIONS OF 3-Chloroaniline-2,4,6-d3 | CAS 347840-11-3
3-Chloroaniline-2,4,6-d₃ is used as a versatile stable isotope-labelled compound in various analytical and research contexts. Its primary applications include:

1. Internal Standard for Quantitative Analysis:
   It is used as an isotopically labelled internal standard in GC-MS and LC-MS/MS methods for quantifying 3-chloroaniline and related aromatic amines. The deuterated form corrects for analytical errors due to sample preparation losses, instrument drift, and matrix interference.

2. Environmental Analysis:
   Chlorinated anilines are environmentally significant contaminants found as degradation products of herbicides, dyes, and industrial chemicals. 3-Chloroaniline-2,4,6-d₃ enables trace-level quantification of these pollutants in water, soil, and air matrices, enhancing method reliability and reproducibility.

3. Toxicological and Biological Studies:
   In toxicokinetic investigations, this compound is used to study metabolic pathways and biotransformation processes of chlorinated anilines. Deuterium labelling allows tracking of metabolic fate and differentiation from endogenous compounds.

4. Method Development and Validation:
   Analytical laboratories use 3-Chloroaniline-2,4,6-d₃ for calibration curve preparation, linearity evaluation, precision testing, and sensitivity determination. Its chemical equivalence ensures that it behaves identically to the target analyte during extraction, chromatography, and ionization.

5. Isotope Dilution Mass Spectrometry (IDMS):
   The compound’s well-defined mass difference makes it an ideal candidate for isotope dilution methods, one of the most accurate quantification approaches available.

6. Research in Reaction Mechanisms:
   Deuterated aromatic amines like this one are employed in mechanistic organic chemistry to investigate isotope effects, substitution reactions, and hydrogen-deuterium exchange kinetics.

ADVANTAGES

• High Isotopic Purity: Typically ≥ 98 atom % D, ensuring minimal interference from unlabeled analogues.

• Chemical Equivalence: Displays nearly identical physical and chemical behavior as native 3-chloroaniline, allowing direct comparison and quantification.

• Distinct Mass Shift (M+3): Provides clear mass separation for accurate detection in mass spectrometric analysis.

• Excellent Analytical Performance: Enables high-precision quantification, even at ultra-trace concentrations.

• Improved Stability: Deuterium substitution enhances resistance to oxidation and degradation during long-term storage.

• Versatility Across Matrices: Effective in diverse analytical matrices, including biological, environmental, and industrial samples.

HANDLING
3-Chloroaniline-2,4,6-d₃ should be handled with care, as aromatic amines may pose health risks due to their toxicity and potential carcinogenicity. Standard laboratory safety protocols must be followed at all times.

• Use in a well-ventilated area or fume hood to prevent inhalation exposure.

• Avoid direct contact with skin or eyes. Use gloves, goggles, and protective clothing.

• Prevent contamination of food and drink areas.

• Avoid contact with strong oxidizing or acidic agents.

QUALITY & DOCUMENTATION
ResolveMass Laboratories Inc. provides 3-Chloroaniline-2,4,6-d₃ under strict quality assurance guidelines to ensure the highest standards of isotopic enrichment, chemical purity, and reproducibility. Each batch undergoes rigorous analytical verification before release.

All materials are supplied with comprehensive documentation for quality traceability and regulatory compliance, including:

• Certificate of Analysis (COA): Reporting purity, isotopic enrichment, and analytical verification results.

• Safety Data Sheet (SDS): Providing hazard classifications and handling guidelines.

• Batch Traceability: Guaranteeing consistency and documentation for audit and regulatory purposes.

ResolveMass Laboratories Inc. is committed to supporting scientific accuracy and consistency through the supply of superior-quality stable isotope-labelled reference materials.

SUMMARY
3-Chloroaniline-2,4,6-d₃ is a high-purity, deuterium-labelled compound designed for advanced analytical and research use. Its isotopic stability, structural equivalence, and precision make it a vital reference standard for environmental, toxicological, and analytical laboratories.

By offering consistent isotopic integrity and thorough quality documentation, ResolveMass Laboratories Inc. ensures that 3-Chloroaniline-2,4,6-d₃ meets the demanding requirements of high-precision mass spectrometric and chromatographic applications, reinforcing confidence in every analysis.