2-Chlorophenol-3,4,5,6-d4 | CAS 93951-73-6

OVERVIEW
2-Chlorophenol-3,4,5,6-d₄ (CAS 93951-73-6) is a deuterium-labelled analogue of 2-chlorophenol, in which the four aromatic hydrogen atoms in positions 3, 4, 5, and 6 are replaced by deuterium atoms. This isotopically labelled compound is primarily used as a stable isotope internal standard in analytical chemistry, mass spectrometry, and environmental or toxicological testing. The substitution of hydrogen with deuterium results in a +4 Da mass shift while maintaining identical chemical behavior to the parent compound, making it an ideal reference for precise quantitative analyses.

2-Chlorophenol-3,4,5,6-d₄ offers exceptional stability, high isotopic enrichment (≥ 98 atom % D), and reliable reproducibility across analytical platforms. Its use minimizes matrix effects, corrects for extraction and injection losses, and ensures more accurate results during quantitative mass spectrometric determinations.

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CHEMICAL INFORMATION

• Name: 2-Chlorophenol-3,4,5,6-d4

• CAS Number: 93951-73-6

• Molecular Formula: C₆D₄ClOH

• Molecular Weight: 132.58 g/mol

• Isotopic Enrichment: ≥ 98 atom % D

Structurally, 2-Chlorophenol-3,4,5,6-d₄ consists of a chlorinated phenolic ring where four deuterium atoms replace the hydrogens in the aromatic positions. This modification maintains identical polarity and reactivity to the native compound but provides a distinct molecular mass for differentiation in analytical methods such as GC-MS or LC-MS.

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APPLICATIONS OF 2-Chlorophenol-3,4,5,6-d4 | CAS 93951-73-6
2-Chlorophenol-3,4,5,6-d₄ is widely used in analytical chemistry and isotope research. Its main functions include:

1. Internal Standard in Quantitative Analysis:
   It serves as an isotopically labelled internal standard for the quantification of 2-chlorophenol and related chlorinated phenolic compounds. In LC-MS/MS or GC-MS/MS workflows, it corrects for signal variations, extraction inefficiencies, and ion suppression/enhancement effects.

2. Environmental and Toxicological Testing:
   Chlorophenols are environmental pollutants of concern due to their persistence and toxicity. The deuterated analogue assists laboratories in accurately measuring trace levels of these compounds in water, soil, air, and biological samples.

3. Pharmaceutical and Metabolic Studies:
   Deuterated standards like 2-Chlorophenol-3,4,5,6-d₄ are valuable in metabolic tracing experiments, enabling researchers to follow transformation pathways of chlorophenol derivatives and understand biotransformation mechanisms.

4. Quality Control and Method Validation:
   It is used to evaluate analytical performance parameters such as linearity, accuracy, recovery, precision, and limit of detection. The use of a structurally identical internal standard ensures better comparability and repeatability between analytical runs.

5. Research and Development:
   Laboratories engaged in synthesis, reaction mechanism studies, or isotopic labelling research often use this compound as a model substrate or calibration reference.

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ADVANTAGES

• High Isotopic Purity: With ≥ 98 atom % D, interference from unlabeled analogues is minimal, allowing clean mass spectral separation.

• Excellent Chemical Equivalence: The deuterium substitution does not alter chromatographic or extraction properties, making it ideal for co-elution and quantitation with the non-labelled analyte.

• Enhanced Analytical Accuracy: The +4 Da shift enables accurate mass detection and differentiation in MS and MS/MS systems.

• Robust Stability: Deuterated compounds generally exhibit improved thermal and chemical stability, which enhances storage life and analytical consistency.

• Trace-Level Suitability: Highly suitable for ultra-trace detection methods where precision is essential.

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HANDLING, STORAGE & SAFETY
2-Chlorophenol-3,4,5,6-d₄ should be handled in accordance with standard laboratory safety practices. Use gloves, goggles, and protective clothing. Avoid inhalation, ingestion, or direct contact with the skin and eyes. Work in a fume hood when transferring or preparing analytical solutions.

Storage Conditions:

• Store in a tightly sealed container, away from heat, light, and sources of ignition.

• Keep in a cool, dry, and well-ventilated environment.

• Recommended storage temperature: 2–8 °C.

• Avoid prolonged exposure to air or moisture to maintain chemical integrity and isotopic enrichment.

Safety Notes:
This compound may cause irritation to skin, eyes, and respiratory tract. In case of contact, rinse immediately with plenty of water and seek medical attention if necessary. Waste materials should be disposed of following local environmental and hazardous-waste regulations.

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QUALITY & DOCUMENTATION
At ResolveMass Laboratories Inc., every batch of 2-Chlorophenol-3,4,5,6-d₄ is produced under stringent quality control systems to guarantee purity, isotopic enrichment, and reproducibility. Each product is accompanied by:

• Certificate of Analysis (COA) detailing purity, isotopic composition, and lot number.

• Safety Data Sheet (SDS) outlining hazard classification and safe handling information.

• Traceability Documentation ensuring consistency across production lots.

We also offer custom packaging, solution concentrations, and bulk options tailored to your analytical or research requirements.

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SUMMARY
2-Chlorophenol-3,4,5,6-d₄ is a premium deuterium-labelled compound used as a stable isotope internal standard and reference material in analytical, environmental, and research applications. Its high isotopic enrichment, chemical equivalence to the native molecule, and superior analytical reliability make it an indispensable standard for quantitative and trace-level studies.

ResolveMass Laboratories Inc. ensures each product meets the highest standards of quality, documentation, and traceability—empowering laboratories to achieve accurate, consistent, and reproducible analytical outcomes.

Learn more about, Deuterates polymers.