Deuterated Terephthaloyl-2,3,5,6-d4 Chloride | CAS 129775-07-1

Overview

Deuterated Terephthaloyl-2,3,5,6-d4 chloride | CAS 129775-07-1 is a high-purity, stable isotope-labeled aromatic diacid chloride widely used in analytical chemistry, isotope labeling, polymer science, pharmaceutical research, and material science. As the deuterated analogue of terephthaloyl chloride, this compound contains four deuterium atoms substituted on the aromatic ring, producing a predictable M+4 mass shift while maintaining chemical behavior nearly identical to its non-labeled counterpart. The compound is typically supplied with ≥98 atom % deuterium enrichment, making it highly suitable for demanding LC-MS, GC-MS, NMR, and isotope dilution mass spectrometry (IDMS) applications. The compound has the empirical formula C₈D₄Cl₂O₂ and a molecular weight of 207.05 g/mol.

Because terephthaloyl chloride serves as an important intermediate in the synthesis of specialty polymers, aromatic polyamides, esters, and advanced functional materials, the deuterated analogue has become an invaluable research tool for tracing reaction pathways, monitoring synthetic efficiency, and developing highly accurate quantitative analytical methods. Its isotopic labeling enables scientists to distinguish the labeled compound from endogenous or unlabeled materials without altering reaction kinetics or chemical reactivity.

At ResolveMass Laboratories Inc., we supply high-quality isotope-labeled reference standards designed to support pharmaceutical, chemical, environmental, and polymer research laboratories with exceptional analytical confidence and reproducibility.

Chemical Information

• Product Name: Deuterated Terephthaloyl-2,3,5,6-d4 Chloride
• CAS Number: 129775-07-1
• Molecular Formula: C₈D₄Cl₂O₂
• Molecular Weight: 207.05 g/mol
• Isotopic Enrichment: Typically ≥98 atom % D
• Mass Shift: M+4
• Chemical Class: Aromatic dicarbonyl dichloride
• Appearance: White to off-white crystalline solid
• Storage Recommendation: Store tightly sealed under dry, moisture-free conditions at low temperature to prevent hydrolysis.
• Handling: Moisture-sensitive acid chloride; handle under inert atmosphere whenever possible.

Applications

Stable Isotope Internal Standard

Deuterated Terephthaloyl-d₄ Chloride is frequently employed as an internal standard during quantitative LC-MS and GC-MS analyses. Its isotopic mass difference enables clear discrimination from native analytes while providing nearly identical chromatographic and ionization characteristics. This improves analytical precision, compensates for sample preparation losses, and minimizes matrix effects.

Pharmaceutical Research

The compound is valuable during pharmaceutical process development involving aromatic diacid chloride intermediates. Researchers use it to investigate reaction mechanisms, monitor impurity formation, validate analytical methods, and establish accurate calibration procedures for regulatory studies.

Polymer Science

Terephthaloyl chloride is widely used in the synthesis of aromatic polyesters, polyamides, and advanced engineering polymers. The deuterated analogue enables researchers to monitor polymerization reactions, evaluate monomer incorporation, investigate degradation pathways, and study reaction kinetics without affecting polymer chemistry.

Reaction Mechanism Studies

Because deuterium behaves chemically similar to hydrogen while remaining easily distinguishable by mass spectrometry and NMR spectroscopy, Deuterated Terephthaloyl Chloride is ideal for mechanistic investigations. Scientists can trace molecular transformations, determine reaction intermediates, and better understand acylation and condensation reactions.

Isotope Dilution Mass Spectrometry (IDMS)

The compound serves as an excellent isotope dilution standard for highly accurate quantitative measurements where trace-level determination requires superior precision and reproducibility.

Materials Science

Researchers developing advanced functional materials, specialty coatings, high-performance fibers, and composite materials use isotope-labeled monomers to investigate polymer architecture, cross-linking efficiency, degradation behavior, and long-term material stability.

Advantages

Excellent Analytical Accuracy

The four incorporated deuterium atoms generate a distinct M+4 mass shift that enables reliable identification and quantification during mass spectrometric analyses.

Chemically Equivalent to Native Compound

Deuterium substitution does not significantly alter the compound’s chemical reactivity, ensuring comparable synthetic performance, chromatographic retention, and reaction behavior relative to unlabeled terephthaloyl chloride.

High Isotopic Purity

High deuterium enrichment minimizes interference from unlabeled species and supports accurate quantitative measurements across demanding analytical workflows.

Improved Method Validation

Analytical laboratories can utilize this isotope-labeled standard during method development, calibration curve preparation, extraction recovery studies, robustness testing, precision evaluation, and regulatory validation.

Broad Instrument Compatibility

The compound is compatible with multiple analytical techniques including:

• LC-MS/MS
• GC-MS (following suitable derivatization where applicable)
• High-resolution mass spectrometry (HRMS)
• NMR spectroscopy
• Isotope dilution mass spectrometry (IDMS)
• Reaction monitoring workflows

Reliable Research Tool

Its structural similarity to native terephthaloyl chloride makes it an ideal tracer without introducing significant perturbation into chemical or biological systems.

Typical Research Areas

• Stable isotope labeling studies
• Pharmaceutical analytical method development
• Process chemistry optimization
• Polymer synthesis research
• Aromatic polyamide characterization
• Polyester precursor investigations
• Reaction mechanism elucidation
• Quantitative LC-MS assays
• Isotope dilution mass spectrometry
• Materials science and advanced polymer research
• Chemical reference standard development
• Laboratory quality control

Quality and Storage

As a reactive aromatic acid chloride, Deuterated Terephthaloyl-2,3,5,6-d₄ Chloride should be protected from moisture since hydrolysis readily converts acid chlorides to their corresponding carboxylic acids. Storage under dry inert atmosphere in tightly sealed containers helps preserve chemical integrity over extended periods. Proper handling using appropriate personal protective equipment and moisture-free laboratory techniques ensures consistent performance in research applications.

Why Choose ResolveMass Laboratories Inc.?

ResolveMass Laboratories Inc. supplies premium isotope-labeled compounds manufactured to meet the stringent quality requirements of pharmaceutical companies, contract research organizations, universities, analytical laboratories, and industrial research facilities. Our stable isotope standards are designed to deliver high isotopic enrichment, excellent purity, consistent batch-to-batch quality, and dependable analytical performance. Whether supporting method validation, quantitative mass spectrometry, polymer characterization, or advanced chemical research, our deuterated reference materials provide researchers with the confidence required for reproducible and regulatory-compliant analytical results.

Summary

Deuterated Terephthaloyl-2,3,5,6-d₄ Chloride (CAS 129775-07-1) is a versatile isotope-labeled aromatic diacid chloride that combines the chemical properties of native terephthaloyl chloride with the analytical advantages of stable isotope labeling. Its high isotopic enrichment, predictable M+4 mass shift, and broad compatibility with LC-MS, GC-MS, HRMS, NMR, and IDMS make it an indispensable tool for pharmaceutical development, polymer research, reaction mechanism studies, and quantitative analytical chemistry. Researchers seeking accurate, reproducible, and robust isotope-labeled standards can rely on ResolveMass Laboratories Inc. for products that meet the highest scientific and quality expectations.

Learn more about Deuterated Chemicals through,

• Deuterated Polymers: A Cornerstone Guide to Synthesis, Applications, and Future Trends
• Availability of All the Deuterated Chemicals at ResolveMass Laboratories Inc. 
• ResolveMass Laboratories: Leading Deuterated Chemical Synthesis Company in the United States.
• Deuterated Internal Standards for LC-MS: Selection & Custom Synthesis 
• How to Choose the Right Deuterated Labelled Chemical Synthesis Company in Canada 
• How to Choose the Right Deuterium Labelled Compounds Supplier for Your Lab 
• Deuterium-Labelled Compounds — Synthesis, Applications & Ordering 
• Custom Synthesis of Deuterated Chemicals