Deuterated trans-Styrene-α,β-d2 | CAS 52751-12-9

PRODUCT NAME

Deuterated trans-Styrene-α,β-d₂

SYNONYMS & IDENTIFIERS

• trans-Styrene-α,β-d₂
• 1-Deutero-2-deuteriostyrene (trans)
• Deuterated trans-vinylbenzene
• CAS Number: 52751-12-9

CHEMICAL STRUCTURE & FORMULA

• Molecular Formula: C₈H₆D₂
• Structural Characteristics: A benzene ring substituted with an ethylene group in the trans configuration, where both vinyl hydrogens (α and β positions relative to the aromatic ring) are substituted with deuterium (²H).
• Isotopic Labeling: α,β-Di-deuterated, providing robust mass differentiation compared to non-labeled styrene.

OVERVIEW

Deuterated trans-Styrene-α,β-d2 | CAS 52751-12-9  is a highly purified, selectively isotopically labeled styrene derivative designed for analytical, research and development applications requiring precise internal standards, mechanistic tracing, or specialized reaction studies. The introduction of deuterium at the vinyl positions significantly alters mass spectral signatures and kinetic isotope effects while maintaining chemical reactivity comparable to non-labeled styrene.

This product is manufactured under rigorous quality systems compatible with research, specialty chemical, and analytical laboratory needs. It is widely used in mass spectrometry, NMR spectroscopy, catalyst studies, polymer science, and tracer experiments where conventional styrene would not provide sufficient analytical distinction.

KEY FEATURES

• High Isotopic Enrichment (≥ 98% D at α & β) – Ensures confident differentiation in mass spectrometry and isotope effect studies.
• Trans-Configuration Verified – Trans stereochemistry intact for predictable reactivity profiles and consistent experimental outcomes.
• Excellent Chemical Purity – Minimizes interference in high-sensitivity analyses like LC-MS, GC-MS, and NMR.
• Stable Under Standard Storage – Can be stored under recommended conditions with minimal degradation.
• Reliable Quality for Research – Suitable for method development, quantitation standards, and advanced synthetic applications.

APPLICATIONS  of  Deuterated trans-Styrene-α,β-d2 | CAS 52751-12-9

Analytical and Mass Spectrometry Standardization

Deuterated trans-Styrene-α,β-d₂ is an ideal internal standard in quantitative mass spectrometry (GC-MS, LC-MS), enabling accurate peak normalization and compensation for instrument variation. Its mass difference from non-labeled styrene improves selectivity and quantitation in complex matrices, including environmental samples, biochemical assays, or polymer degradation profiles.

NMR Spectroscopy and Structural Elucidation

The presence of deuterium greatly reduces proton peak overlap in ¹H NMR spectra. Analysts use deuterated styrene to clarify coupling patterns, identify reaction intermediates, and confirm product structures. Furthermore, selective deuteration aids ²H NMR analysis for tracing molecular behavior without proton signals interfering with spectra.

Mechanistic and Isotope Effect Studies

Isotopic labeling with deuterium at specific positions makes this compound indispensable in kinetic isotope effect (KIE) experiments. Researchers studying reaction pathways, transition states, or catalytic cycles can observe how deuterium substitution alters reaction rates compared to protium. This provides direct insight into bond breaking/forming and rate-determining steps.

Synthetic Chemistry & Polymer Research

Chemists leverage deuterated styrene analogs in polymerization studies to investigate chain growth kinetics, monomer reactivity ratios, and polymer microstructure. In catalyst development and mechanism elucidation, labeled monomers can reveal subtle effects on polymer architecture or cross-linking behavior.

Environmental and Degradation Studies

In environmental monitoring, deuterated styrenes serve as tracers or surrogates for volatile organic compound (VOC) analysis, biodegradation tracking, or atmospheric fate modeling. Their distinct mass tag allows unambiguous discrimination from background styrenes in field samples.

PHYSICAL & CHEMICAL PROPERTIES

Exact specifications are detailed in the Certificate of Analysis (COA) accompanying each lot.

QUALITY CONTROL & CERTIFICATION

Each lot of Deuterated trans-Styrene-α,β-d₂ undergoes stringent quality control, including:
• GC / GC-MS Purity Assessment – Confirms absence of significant impurities or unlabeled analogue contamination.
• NMR Verification – Confirms structural integrity and isotopic incorporation.
• Isotopic Distribution Analysis – Validates deuterium enrichment at α,β positions.
• Documentation – COA provided with batch number, analytical data, and storage recommendations.

ResolveMass Laboratories adheres to best practices for chemical synthesis and laboratory controls, ensuring consistency and traceability for research users.

WHY CHOOSE RESOLVEMASS LABORATORIES

ResolveMass provides meticulously characterized isotopically labeled compounds for analytical laboratories and research institutions. With expert synthesis, rigorous quality control, and responsive technical support, we deliver standards that empower confident data generation and reproducible science.

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