4-Bromophenol-2,3,5,6-d4 | CAS 152404-44-9

OVERVIEW
4-Bromophenol-2,3,5,6-d4 | CAS 152404-44-9 is a highly specialized isotopically labeled compound, where four hydrogen atoms of the aromatic ring are replaced with deuterium. This heavy isotope labeling enhances the compound’s utility in analytical and research applications, particularly in mass spectrometry-based studies. The introduction of deuterium does not significantly alter the chemical behavior of the parent molecule, but it provides a distinct mass shift, which is critical for precise quantitative and qualitative analyses.

This compound is part of a broader class of deuterated reagents and standards widely used in pharmaceutical, biochemical, and environmental research. Its high isotopic purity and chemical stability make it a reliable internal standard for LC-MS, GC-MS, and other high-resolution mass spectrometric techniques.

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CHEMICAL INFORMATION

• Chemical Name: 4-Bromophenol-2,3,5,6-d4

• Molecular Formula: C6D4BrOH

• Molecular Weight: Approximately 142.91 g/mol

• CAS Number: 152404-44-9

• Deuterium Content: 98% minimum, ensuring high accuracy in isotopic labeling applications

• Purity: Typically ≥98% by NMR or HPLC

The substitution of hydrogen atoms with deuterium in positions 2,3,5, and 6 of the phenolic ring results in minimal isotopic effects on chemical reactivity but introduces a measurable mass difference. This makes the compound invaluable for tracing, quantification, and kinetic studies in complex matrices.

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APPLICATIONS  of  4-Bromophenol-2,3,5,6-d4 | CAS 152404-44-9
4-Bromophenol-2,3,5,6-d4 serves as a critical tool in modern analytical laboratories. Key applications include:

1. Internal Standard for Mass Spectrometry:
   The deuterium-labeled structure allows it to be used as an internal standard for LC-MS or GC-MS assays. It compensates for sample losses, matrix effects, and instrumental variations, enabling precise quantification of the corresponding non-labeled 4-bromophenol in biological, environmental, or chemical samples.

2. Pharmaceutical Research:
   In drug development, this compound is used to study metabolic pathways, reaction mechanisms, and pharmacokinetics of halogenated phenolic compounds. Its isotopic label facilitates tracking and differentiation of parent compounds from metabolites in biological matrices.

3. Isotopic Tracer Studies:
   4-Bromophenol-2,3,5,6-d4 is ideal for kinetic isotope effect studies, mechanistic investigations, and tracing the behavior of phenolic intermediates in chemical reactions. Deuterium incorporation allows researchers to monitor isotopic exchange and reaction pathways with high accuracy.

4. Environmental and Toxicological Analysis:
   The compound can serve as a surrogate or internal standard for the quantification of halogenated phenols in environmental samples, such as water, soil, and air, providing accurate detection of trace contaminants in complex matrices.

5. Synthetic Chemistry:
   Its deuterium-labeled structure can be used in synthetic chemistry as a building block for the preparation of more complex labeled molecules, enabling studies on reaction selectivity and mechanistic pathways.

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ADVANTAGES

• High isotopic and chemical purity ensures reliable and reproducible analytical results.

• Minimal chemical reactivity changes due to deuterium substitution.

• Enhances accuracy in quantitative LC-MS and GC-MS applications.

• Suitable for both research-grade and regulated analytical workflows.

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HANDLING AND STORAGE
4-Bromophenol-2,3,5,6-d4 should be stored in tightly sealed containers under inert atmosphere conditions, preferably at low temperatures (2–8°C) to prevent degradation or moisture uptake. Handling should be performed using standard laboratory protective equipment, including gloves and eye protection, due to its potential irritant properties. Avoid prolonged exposure to light and moisture to maintain stability and isotopic integrity.

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CONCLUSION
4-Bromophenol-2,3,5,6-d4 is an indispensable tool in modern analytical chemistry, offering unmatched precision for mass spectrometry, isotopic tracing, and pharmaceutical research. Its combination of high isotopic purity, chemical stability, and versatility makes it an essential reagent for laboratories seeking reliable, reproducible, and accurate results in complex analytical workflows.

ResolveMass Laboratories Inc. provides this deuterated standard with rigorous quality control, ensuring it meets the stringent demands of research and regulated environments.

 

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