Deuterated 4-Bromostyrene-d7 | CAS 2039-82-9

PRODUCT TITLE:
Deuterated 4-Bromostyrene-d7 | CAS 2039-82-9

OVERVIEW
Deuterated 4-Bromostyrene-d7 | CAS 2039-82-9  is a highly valuable isotopically labeled building block used extensively in advanced chemical synthesis, analytical chemistry, mass spectrometry, and pharmaceutical research. The compound consists of a 4-bromostyrene core in which all seven exchangeable aromatic and vinyl hydrogen atoms have been replaced with deuterium (²H or D), resulting in a fully deuterated isotopologue. This unique isotopic composition makes it an ideal internal standard and tracer for mechanistic studies, quantitation, and metabolic profiling.

Deuterated 4-Bromostyrene-d7 serves as a robust reagent in synthetic chemistry for preparing complex molecules with minimal isotopic dilution. Its deuterium enrichment enhances signal stability in spectroscopic methods and ensures high precision in quantitative analyses. ResolveMass Laboratories Inc. offers this compound with high isotopic purity, stringent quality control, and certificate of analysis documentation to support critical research and development applications.

CHEMICAL DESCRIPTION

• Name: Deuterated 4-Bromostyrene-d7

• CAS Number: 2039-82-9

• Molecular Formula: C8D7Br

• Molecular Weight: Approx. 190.09 g/mol (exact mass depends on isotopic composition)

• Structure: A brominated styrene derivative with seven deuterium atoms replacing hydrogen on the phenyl ring and vinyl group.

• Isotopic Labeling: Seven deuterium atoms (d7) uniformly incorporated for maximal signal differentiation relative to non-labeled analogues.

The deuterium atoms are strategically positioned to provide maximal stability and unambiguous mass spectral signatures, making this derivative particularly valuable for use as an internal standard in MS-based quantitation.

PHYSICAL AND CHEMICAL PROPERTIES
Deuterated 4-Bromostyrene-d7 closely resembles its protiated analogue in physical properties, with slight differences due to the isotope effect. The substitution of hydrogen with deuterium leads to marginal changes in bond vibrational frequencies and kinetic isotope behavior, which can be advantageous in mechanistic studies.

Typical properties include:

• Appearance: Colorless to pale yellow liquid or oil (product may vary slightly based on synthesis batch)

• Boiling Point: Comparable to non-deuterated 4-bromostyrene, with minor isotope-induced shifts

• Density: Slightly increased relative to its non-deuterated counterpart due to deuterium mass

• Reactivity: Behaves analogously in electrophilic and radical reactions, with deuterium effects relevant in kinetic studies

All batches are supplied with analytical data supporting purity and isotopic enrichment.

SYNTHESIS AND ISOTOPIC LABELING
Deuterated 4-Bromostyrene-d7 is prepared via controlled deuterium incorporation into the aromatic and vinyl hydrogen positions. Typical synthetic strategies engage deuterated precursors or use catalytic exchange in deuterated solvents under carefully controlled conditions to achieve >98 % deuteration across all labeled positions.

The synthesis is optimized to prevent protium contamination and ensure batch-to-batch consistency. ResolveMass Laboratories implements rigorous analytical verification including NMR (¹H, ²H) and mass spectrometry to confirm isotopic integrity and chemical identity.

APPLICATIONS AND USE CASES of Deuterated 4-Bromostyrene-d7 | CAS 2039-82-9

1. Mass Spectrometry Internal Standard
Deuterated 4-Bromostyrene-d7 is widely utilized as an internal standard in GC-MS and LC-MS workflows for quantifying trace levels of 4-bromostyrene or related analytes. The predictable mass shift provided by deuterium labeling enables accurate peak differentiation, reducing analytical uncertainty.

2. Mechanistic and Kinetic Studies
Deuterium substitution significantly alters bond vibrational properties and reaction kinetics, which researchers exploit to investigate reaction mechanisms, isotope effects, and transition state dynamics. The d7 isotope pattern allows clear monitoring of reaction pathways and intermediate formation.

3. Pharmaceutical and Medicinal Chemistry
In drug discovery and ADME (absorption, distribution, metabolism, excretion) studies, deuterated building blocks like 4-Bromostyrene-d7 are incorporated into analogues for metabolic stability studies. The presence of deuterium can influence metabolic rates, enabling the design of compounds with improved pharmacokinetic profiles.

4. Synthetic Organic Chemistry
The compound serves as a deuterated reagent in cross-coupling reactions, polymerizations, and functional group transformations. It enables the synthesis of deuterium-labeled derivatives for research and development of new materials and small molecules.

5. NMR Reference Standard
Deuterated compounds are essential in NMR spectroscopy for solvent suppression and lock stabilization. 4-Bromostyrene-d7 provides a clean baseline for complex mixture analysis and structural elucidation.

ANALYTICAL CHARACTERIZATION
Each lot of Deuterated 4-Bromostyrene-d7 is characterized with high-resolution data to ensure compliance with stringent research needs:

• ²H NMR: Confirms extent and uniformity of deuterium labeling

• ¹H NMR: Verifies absence of unwanted protiated impurities

• GC-MS / LC-MS: Confirms mass shift and chemical purity

• Purity Analysis: Typically >98 % chemical purity (varies by batch; see COA)

These analyses provide confidence in performance as an internal standard and research reagent.

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