Deuterated 4-Fluorostyrene-d3 | CAS 405-99-2

Overview

Deuterated 4-Fluorostyrene-d3 | CAS 405-99-2 is a high-purity, isotopically labeled chemical reagent designed for advanced research applications in analytical chemistry, synthetic chemistry, and isotopic tracing studies. Featuring strategic deuterium incorporation in the styrene moiety and a fluorine substituent at the para position, this compound serves as a critical internal standard, tracer, and building block in numerous scientific and industrial workflows.

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KEY FEATURES & HIGHLIGHTS

• High Isotopic Purity: ≥98% deuterium incorporation in the styrene segment, resulting in clearly distinguishable mass signatures compared to non-labeled analogs.

• Purity & Quality: Supplied with high chemical purity suitable for research-grade use in mass spectrometry, NMR, and synthesis.

• Consistent Performance: Reliable isotopic labeling with minimal proton impurities ensures reproducible results.

• Versatile Utility: Compatible with a wide range of analytical and preparative techniques.

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CHEMICAL IDENTIFICATION

• Product Name: Deuterated 4-Fluorostyrene-d₃

• CAS Number: 405-99-2

• Molecular Formula: C₈H₃D₃F

• Molecular Weight: Accurate deuterated mass greater than non-labeled counterpart due to D substitution

• Labeling Position: Deuterium substitution in the vinyl/alkene portion of the styrene core.

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STRUCTURAL & ISOTOPIC PROFILE

Deuterated 4-Fluorostyrene-d₃ is an isotopologue of 4-fluorostyrene in which three hydrogen atoms are replaced by deuterium (²H, D). This replacement significantly alters its spectroscopic and mass spectrometric behavior while maintaining identical chemical reactivity to the unlabeled parent compound.

This isotopic variation enables:

• Distinct mass spectral peaks, simplifying quantification and forensic differentiation.

• Minimal kinetic isotope effects in many reactions, enabling faithful surrogate behavior for mechanistic studies.

• Deuterium tracer applications in metabolic, polymerization, and degradation pathways.

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PRIMARY APPLICATIONS  of  Deuterated 4-Fluorostyrene-d3 | CAS 405-99-2

 

Internal Standard in Mass Spectrometry

Deuterated 4-Fluorostyrene-d₃ functions as an ideal internal standard in GC-MS and LC-MS workflows. Isotopic labeling ensures that the analyte and standard share nearly identical chemical behavior while producing a resolvable mass difference. This enables:

• Accurate quantification of 4-fluorostyrene derivatives

• Compensation for matrix effects

• Improved reproducibility in complex samples

Nuclear Magnetic Resonance (NMR) Studies

The deuterium atoms in this compound produce distinguishable patterns in ²H NMR and simplify proton NMR spectra. Applications include:

• Verification of structural assignment

• Monitoring deuterium incorporation in synthetic routes

• Polymerization studies with labeled monomers

Synthetic Chemistry & Mechanistic Research

This deuterated reagent is widely used as a building block in precision synthesis and reaction mechanism studies. The presence of the deuterium label enables:

• Tracking of reaction pathways

• Kinetic isotope effect measurements

• Isotopic labeling of complex structures via cross-coupling and polymerization

Polymer Chemistry

4-Fluorostyrene and its derivatives are used in specialty polymers. Deuterated analogs support:

• Polymer characterization

• Reaction kinetics analysis

• Material degradation and stability studies

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ANALYTICAL BENEFITS

Deuterated 4-Fluorostyrene-d₃ provides enhanced analytical clarity because:

• The deuterium mass shift eliminates spectral overlap with native compounds.

• It allows for simultaneous quantitation of labeled/unlabeled species in a single run.

• It improves detection limits by reducing background noise.

This makes it especially valuable in regulatory, R&D, and quality control environments.

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TECHNICAL SPECIFICATIONS

Certificates of Analysis available upon request.

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Learn more about Deuterated Chemicals through,

• Deuterated Polymers: A Cornerstone Guide to Synthesis, Applications, and Future Trends
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