4-Chloroaniline-2,6-d2 | CAS 35749-94-1

OVERVIEW
4-Chloroaniline-2,6-d₂ (CAS 35749-94-1) is a selectively deuterated isotopologue of 4-chloroaniline, in which the hydrogen atoms at the 2- and 6-positions of the aromatic ring are replaced by deuterium atoms. This modification results in a +2 Da mass shift relative to the unlabeled compound while maintaining the same molecular structure and physicochemical characteristics.

This compound serves as a stable isotope-labelled internal standard for analytical and research applications, particularly in mass spectrometry (MS), gas chromatography-mass spectrometry (GC-MS), and liquid chromatography-mass spectrometry (LC-MS) analyses. Its identical chemical behavior to native 4-chloroaniline allows for precise quantification, enhanced analytical accuracy, and reliable method validation across a range of chemical, environmental, and biological studies.

4-Chloroaniline-2,6-d₂ is especially useful in trace-level determinations of aromatic amines, environmental pollutant monitoring, and industrial exposure analysis. The compound’s high isotopic enrichment and purity make it an excellent choice for laboratories focused on quantitative and comparative isotope ratio studies.

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CHEMICAL INFORMATION

•  Name : 4-Chloroaniline-2,6-d2

• CAS Number: 35749-94-1

• Molecular Formula: C₆H₃D₂ClNH₂

• Molecular Weight: 129.58 g/mol

• Isotopic Enrichment: ≥ 98 atom % D

Structurally, 4-Chloroaniline-2,6-d₂ retains the aromatic amine functionality and para-chloro substitution characteristic of 4-chloroaniline. The deuteration at the 2 and 6 positions confers isotopic distinction without altering the compound’s reactivity, solubility, or chromatographic behavior—ideal for co-elution with the native compound in analytical assays.

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APPLICATIONS OF 4-Chloroaniline-2,6-d2 | CAS 35749-94-1
4-Chloroaniline-2,6-d₂ is widely used as a stable isotope reference material in analytical chemistry, environmental monitoring, and pharmaceutical research. Its major applications include:

1. Analytical Internal Standard:
   It is used as a deuterium-labelled internal standard for quantitative GC-MS and LC-MS analysis of 4-chloroaniline and other chlorinated anilines. The isotopic label allows precise correction for extraction losses, matrix effects, and instrument variability, providing more accurate and reproducible quantification.

2. Environmental Pollutant Analysis:
   Chlorinated anilines are known environmental contaminants derived from pesticide and dye degradation. The deuterated analogue is employed for trace-level determination of these compounds in water, soil, air, and biological samples, enabling improved data reliability in environmental testing.

3. Pharmaceutical and Toxicological Studies:
   In pharmacokinetic and toxicokinetic studies, 4-Chloroaniline-2,6-d₂ is used as a reference to investigate the metabolism, absorption, and elimination of aromatic amine compounds. The isotopic substitution allows for precise tracking and differentiation of metabolic products in biological matrices.

4. Isotope Dilution Mass Spectrometry (IDMS):
   The compound is ideal for use in isotope dilution methods, one of the most accurate techniques for quantification. The deuterated internal standard ensures consistent analyte-to-standard ratio measurement, leading to highly reliable results.

5. Method Development and Validation:
   It is applied in calibration, linearity assessment, accuracy testing, recovery evaluation, and sensitivity verification of analytical methods. The close structural similarity ensures co-elution and consistent response factors with the analyte, facilitating robust validation.

6. Research and Mechanistic Studies:
   Deuterated anilines, including 4-Chloroaniline-2,6-d₂, are also used in mechanistic organic chemistry to explore isotope effects, reaction kinetics, and hydrogen-deuterium exchange processes.

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ADVANTAGES

• High Isotopic Purity: The compound is typically enriched to ≥ 98 atom % D, minimizing the presence of unlabeled isotopologues.

• Excellent Chemical Equivalence: Its structural and physical properties match those of the non-deuterated compound, ensuring identical chromatographic behavior.

• Distinct Mass Shift (M+2): The isotopic substitution provides clear mass separation in MS and MS/MS systems, enabling easy distinction and quantitation.

• Enhanced Analytical Accuracy: Ideal for trace analysis and low-level detection where measurement precision is critical.

• Thermal and Chemical Stability: The compound exhibits strong stability under typical storage and analytical conditions.

• Reliable Performance in Complex Matrices: Suitable for biological fluids, environmental extracts, and industrial samples, even at sub-ng/mL concentrations.

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HANDLING, STORAGE & SAFETY
4-Chloroaniline-2,6-d₂ should be handled with care, as aromatic amines may be toxic and irritating upon contact or inhalation. Laboratory personnel should use appropriate safety precautions and protective equipment at all times.

Handling Guidelines:

• Avoid direct contact with skin and eyes; use nitrile gloves and protective eyewear.

• Perform transfers and preparations inside a chemical fume hood.

• Prevent inhalation of dust or vapors.

• Avoid exposure to strong oxidizing agents.

Storage Conditions:

• Store in a tightly closed container in a cool, dry, and well-ventilated place.

• Recommended storage temperature: 2–8 °C.

• Protect from light and moisture to maintain isotopic and chemical integrity.

First Aid Measures:

• Inhalation: Move the exposed person to fresh air and seek medical attention if symptoms persist.

• Skin Contact: Wash immediately with soap and water.

• Eye Contact: Rinse thoroughly with clean water for several minutes; obtain medical assistance if irritation develops.

• Ingestion: Do not induce vomiting; seek immediate medical care.

Disposal:
Waste materials and contaminated containers should be disposed of as hazardous waste according to institutional and local environmental regulations.

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QUALITY & DOCUMENTATION
ResolveMass Laboratories Inc. ensures that each batch of 4-Chloroaniline-2,6-d₂ is produced under rigorous quality control to meet analytical-grade standards. All materials are supplied with comprehensive documentation for full traceability and regulatory compliance.

Each product is accompanied by:

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

• Safety Data Sheet (SDS): Providing hazard classification, safe handling, and emergency information.

• Batch Traceability: Ensuring reproducibility and consistency across multiple production lots.

ResolveMass Laboratories Inc. is committed to delivering reliable isotope-labelled standards that support the highest levels of analytical accuracy and scientific integrity.

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SUMMARY
4-Chloroaniline-2,6-d₂ (CAS 35749-94-1) is a high-purity deuterium-labelled compound designed for use as a stable isotope internal standard and reference material in mass spectrometry and chromatographic applications. Its exceptional isotopic enrichment, stability, and analytical reliability make it a valuable tool for laboratories engaged in environmental monitoring, pharmaceutical development, and isotope research.

With proven performance, consistency, and precision, 4-Chloroaniline-2,6-d₂ exemplifies the quality and dependability that ResolveMass Laboratories Inc. provides to the global scientific community.

Learn more about, Deuterated polymers as guided.