4-Bromochlorobenzene-d4 | CAS 134415-42-2

OVERVIEW
4-Bromochlorobenzene-d₄ is a deuterium-labeled aromatic halide featuring one bromine atom, one chlorine atom, and four deuterium atoms substituted for hydrogen on the benzene ring. This compound serves as an important isotopically enriched analogue of 4-bromochlorobenzene and is widely employed in analytical chemistry, spectroscopy, and synthetic research. The incorporation of four deuterium atoms provides a distinct isotopic signature while maintaining identical chemical and physical properties to the non-deuterated version.

As a dual-halogenated aromatic system, 4-Bromochlorobenzene-d₄ exhibits both electrophilic and nucleophilic reactivity, enabling it to participate in diverse organic transformations such as metal-catalyzed coupling reactions and nucleophilic aromatic substitutions. Its deuterium enrichment enhances its use as an internal standard for mass spectrometry, NMR spectroscopy, and isotopic labeling studies.

ResolveMass Laboratories Inc. supplies this compound with high isotopic purity and verified analytical quality, ensuring exceptional performance in research, environmental monitoring, and industrial applications where deuterium labeling precision is essential.

CHEMICAL INFORMATION

• Name: 4-Bromochlorobenzene-d₄

• Molecular Formula: C₆D₄BrCl

• Molecular Weight: 195.48 g/mol

• CAS Number: 134415-42-2

• Stability: Stable under ambient laboratory conditions; sensitive to prolonged exposure to light and heat

The para-substitution pattern in 4-Bromochlorobenzene-d₄ provides a symmetric and electronically balanced aromatic system, reducing NMR signal complexity and enhancing analytical precision in isotopic and structural characterization.

APPLICATIONS  of  4-Bromochlorobenzene-d4 | CAS 134415-42-2

1. Internal Standard for GC-MS and LC-MS:
4-Bromochlorobenzene-d₄ is a widely used isotopic internal standard in gas chromatography–mass spectrometry and liquid chromatography–mass spectrometry. The +4 Da mass shift compared to its non-deuterated analogue allows clear isotopic differentiation while maintaining identical chromatographic behavior, ensuring accurate quantification and calibration of aromatic halide compounds.

2. NMR Spectroscopy Reference Compound:
The absence of proton signals from deuterated positions minimizes spectral overlap, making this compound an ideal reference or background-suppression standard in ^1H, ^2H, and ^13C NMR spectroscopy. The presence of both bromine and chlorine atoms contributes to characteristic coupling constants, useful in detailed NMR interpretation.

3. Synthetic Intermediate for Deuterium-Labeled Molecules:
Due to the presence of reactive halogens, 4-Bromochlorobenzene-d₄ can undergo transition-metal-catalyzed cross-coupling reactions such as Suzuki, Heck, or Stille reactions. This enables the preparation of deuterated biaryl and heteroaryl compounds commonly used in pharmaceutical and material science research.

4. Isotopic Tracer in Environmental and Mechanistic Studies:
As a stable, nonpolar aromatic halide, it is valuable in tracing pollutant transformation, volatilization, and sorption in environmental systems. The deuterium label provides a reliable isotopic marker for isotope-dilution and kinetic degradation studies.

5. Calibration and Method Validation in Analytical Chemistry:
Owing to its stability and isotopic enrichment, 4-Bromochlorobenzene-d₄ is used to validate analytical methods involving halogenated aromatics, including standardization of extraction efficiency, chromatographic recovery, and detector response in environmental and industrial testing laboratories.

6. Investigation of Isotope Effects and Reaction Kinetics:
Researchers employ 4-Bromochlorobenzene-d₄ to study kinetic isotope effects (KIEs) in aromatic substitution reactions, aiding in elucidation of reaction pathways and energy barriers influenced by C–D bond strength differences.

ADVANTAGES of  4-Bromochlorobenzene-d4 | CAS 134415-42-2

• High Deuterium Enrichment (≥98 atom % D): Ensures precise isotopic distinction in analytical measurements.

• Dual Halogen Functionality (Br and Cl): Enables versatile reactivity in substitution and coupling reactions.

• Isotopic Mass Shift (+4 Da): Provides excellent chromatographic and spectrometric differentiation.

• Stable and Chemically Equivalent: Maintains identical properties to non-deuterated 4-bromochlorobenzene.

• Enhanced NMR and MS Clarity: Reduces proton interference and simplifies spectral analysis.

• Versatile Applications: Ideal for isotopic tracing, synthetic labeling, and analytical method development.

HANDLING
4-Bromochlorobenzene-d₄ should be handled with standard laboratory precautions typical for halogenated aromatic compounds.

• Use in a well-ventilated area or fume hood.

• Avoid inhalation of vapors and contact with skin or eyes.

• Wear suitable gloves, safety goggles, and protective clothing.

• Avoid heat, flames, or strong oxidizing agents during use.

QUALITY & ANALYTICAL CHARACTERIZATION
Each batch of 4-Bromochlorobenzene-d₄ produced by ResolveMass Laboratories Inc. undergoes rigorous analytical validation to confirm isotopic enrichment, purity, and chemical identity.

Analytical methods include:

• Mass Spectrometry (MS): Confirms molecular weight and isotopic labeling.

• NMR Spectroscopy (^1H, ^2H, ^13C): Verifies deuteration and structural integrity.

• Infrared Spectroscopy (IR): Identifies characteristic C–D stretching vibrations.

• Gas Chromatography (GC): Ensures high chemical purity and retention-time consistency.

Comprehensive documentation, including a Certificate of Analysis (COA) and Safety Data Sheet (SDS), is provided with every batch, guaranteeing traceability, reproducibility, and analytical confidence.

SUMMARY
4-Bromochlorobenzene-d₄ (CAS 134415-42-2) is a high-purity, deuterium-labeled aromatic halide with broad utility in spectroscopy, isotope tracing, and synthetic chemistry. Its combination of bromine and chlorine substituents with deuterium enrichment offers unique reactivity and analytical precision, making it an essential compound for modern research applications.

ResolveMass Laboratories Inc. delivers superior-quality 4-Bromochlorobenzene-d₄ with verified isotopic enrichment and reproducibility — supporting advanced analytical, environmental, and synthetic studies requiring reliable isotopic labeling.