2-Chloroaniline-4,6-d2 | CAS 347840-10-2

OVERVIEW
2-Chloroaniline-4,6-d₂ is a selectively deuterated isotopic analogue of 2-chloroaniline, in which the hydrogen atoms at the 4 and 6 positions of the aromatic ring are replaced by deuterium. This stable isotope-labeled compound exhibits identical chemical and physical behavior to its non-deuterated counterpart while featuring a +2 Da molecular mass shift that makes it highly suitable for advanced analytical, environmental, and research applications.

This compound serves as an invaluable internal standard and tracer in mass spectrometry (MS), nuclear magnetic resonance (NMR), and chromatography-based analytical studies. The introduction of deuterium enables clear differentiation from native compounds, reducing analytical variability and improving data accuracy.

Produced under high isotopic enrichment and stringent purity specifications, 2-Chloroaniline-4,6-d₂ meets the rigorous standards required by modern research and industrial laboratories. It provides reliable performance in environmental contaminant analysis, toxicological testing, and method validation for quantitative chemical assays.

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CHEMICAL INFORMATION

• Name: 2-Chloroaniline-4,6-d₂

• CAS Number: 347840-10-2

• Molecular Formula: C₆H₄D₂ClNH₂

• Molecular Weight: 129.58 g/mol

• Appearance: Colorless to pale yellow crystalline solid or liquid (depending on temperature)

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

Structurally, 2-Chloroaniline-4,6-d₂ retains the ortho-chlorinated aromatic amine backbone of 2-chloroaniline. The replacement of the ring hydrogens at positions 4 and 6 with deuterium does not alter its reactivity profile or spectral characteristics, making it chemically identical yet analytically distinct.

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APPLICATIONS of 2-Chloroaniline-4,6-d2 | CAS 347840-10-2
2-Chloroaniline-4,6-d₂ finds broad use across analytical chemistry, environmental science, and industrial toxicology. Its isotopic labeling makes it an ideal internal standard for the precise quantification and identification of chlorinated anilines and their derivatives.

1. Analytical Internal Standard:
   Used in gas chromatography–mass spectrometry (GC-MS) and liquid chromatography–tandem mass spectrometry (LC-MS/MS), 2-Chloroaniline-4,6-d₂ acts as a calibration and quantitation standard. Its identical chemical behavior and distinguishable mass spectrum make it invaluable for compensating matrix effects and instrumental fluctuations.

2. Environmental Monitoring:
   Chlorinated anilines are significant environmental pollutants that can arise as breakdown products of herbicides, dyes, and industrial intermediates. This deuterated analogue supports trace-level quantification of such contaminants in soil, water, and air, ensuring regulatory compliance and accurate exposure assessment.

3. Toxicological and Metabolic Studies:
   In biological and toxicokinetic research, the compound helps track absorption, distribution, metabolism, and excretion of chlorinated aromatic amines. The presence of deuterium enables selective detection and differentiation from endogenous or co-occurring analytes.

4. Quality Control and Method Validation:
   Analytical laboratories rely on 2-Chloroaniline-4,6-d₂ for establishing calibration curves, linearity, precision, and recovery parameters. Its chemical equivalence to the unlabeled analyte ensures consistent recovery and reproducibility during sample processing and analysis.

5. Research on Reaction Mechanisms:
   Deuterium-labelled anilines play an important role in studying reaction kinetics, isotope effects, and hydrogen transfer mechanisms in organic chemistry. This compound allows mechanistic chemists to gain insight into substitution and oxidation reactions involving aromatic amines.

6. Reference Standard in Industrial Processes:
   As a well-defined isotopic variant, it is used for verifying the integrity of industrial products and intermediates, especially in manufacturing environments dealing with chlorinated aromatic compounds.

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ADVANTAGES

• High Isotopic Enrichment: Typically ≥ 98 atom % D, ensuring superior isotopic integrity and reliable analytical results.

• Excellent Chemical Equivalence: Maintains identical physicochemical properties as non-deuterated 2-chloroaniline, ensuring consistent chromatographic and spectrometric behavior.

• Distinct Mass Shift (M+2): Provides a clearly defined mass separation for accurate isotope ratio measurement and compound identification.

• Analytical Precision: Minimizes variability in quantitative analysis by acting as an internal reference compound.

• Enhanced Stability: Deuterium substitution can increase chemical stability and resistance to oxidation or degradation.

• Wide Applicability: Suitable for use across environmental, toxicological, forensic, and industrial analytical disciplines.

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HANDLING
2-Chloroaniline-4,6-d₂ should be handled using appropriate laboratory safety procedures. Like other chlorinated aromatic amines, it may be harmful if inhaled, ingested, or absorbed through the skin, and can cause irritation or toxicity with prolonged exposure.

• Use within a well-ventilated laboratory environment or fume hood.

• Avoid inhalation and direct contact with skin and eyes.

• Wear protective gloves, lab coat, and safety glasses at all times.

• Keep away from strong oxidizing and acidic reagents.

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QUALITY & DOCUMENTATION
All isotopic products from ResolveMass Laboratories Inc. are manufactured and tested under strict quality assurance procedures. Each lot of 2-Chloroaniline-4,6-d₂ undergoes analytical verification to confirm isotopic enrichment, purity, and identity before distribution.

Comprehensive documentation is provided for every batch, including:

• Certificate of Analysis (COA): Detailing isotopic enrichment, purity, and analytical data.

• Safety Data Sheet (SDS): Containing hazard, safety, and regulatory information.

• Batch Traceability: Ensuring complete traceability and consistency for quality control and regulatory audits.

ResolveMass Laboratories Inc. is dedicated to supplying research and industrial partners with superior-quality stable isotope-labelled materials that deliver reproducibility, traceability, and analytical confidence in every application.

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SUMMARY
2-Chloroaniline-4,6-d₂ is a premium-quality deuterated compound designed for precision analytical, environmental, and research applications. Its selective deuterium substitution at the 4 and 6 positions ensures accurate isotope differentiation without altering the compound’s chemical characteristics.

Combining exceptional isotopic purity, chemical stability, and compatibility across multiple analytical platforms, this compound supports advanced method development, quantitative studies, and environmental monitoring with superior accuracy.

ResolveMass Laboratories Inc. ensures that 2-Chloroaniline-4,6-d₂ meets the highest industry standards for isotopic labeling and analytical performance — reinforcing its value as a dependable reference material for laboratories worldwide.

Learn more,

Deuterated Polymers: A Cornerstone Guide to Synthesis, Applications, and Future Trends