2-Bromopropane-d7 | CAS 39091-63-9

OVERVIEW
2-Bromopropane-d₇ is a fully deuterated isotopologue of 2-bromopropane, in which all seven hydrogen atoms in the molecule are replaced by deuterium. This results in a +7 Da molecular mass increase without altering the compound’s molecular geometry, polarity, or reactivity. The substitution of hydrogen with deuterium makes this compound particularly valuable for isotope-labelling studies, analytical standardization, and mechanistic investigations in organic and physical chemistry.

As a volatile, halogenated alkane, 2-Bromopropane-d₇ exhibits properties nearly identical to those of non-deuterated 2-bromopropane, including similar reactivity toward nucleophiles, substitution kinetics, and chromatographic behavior. The isotopic modification, however, enables clear mass spectrometric distinction and facilitates its use as an internal standard or tracer in quantitative analysis.

2-Bromopropane-d₇ supplied by ResolveMass Laboratories Inc. is produced under strictly controlled isotopic exchange and halogenation conditions, ensuring high isotopic enrichment, chemical purity, and analytical reproducibility for research and industrial applications.

CHEMICAL INFORMATION

• Name: 2-Bromopropane-d₇

• Molecular Formula: C₃D₇Br

• Molecular Weight: 130.04 g/mol

• Isotopic Enrichment: ≥ 98 atom % D

• CAS Number: 39091-63-9

• Stability: Stable under inert conditions; decomposes when exposed to strong bases, heat, or light

2-Bromopropane-d₇ maintains the same tertiary alkyl halide structure as its non-deuterated counterpart, with a bromine atom bonded to a secondary carbon atom. The complete deuteration across the carbon skeleton imparts a measurable isotopic mass difference without modifying chemical bonding or reaction potential, enabling its use in isotope-dilution and mechanistic kinetic studies.

APPLICATIONS  of  2-Bromopropane-d7 | CAS 39091-63-9
2-Bromopropane-d₇ is an essential stable isotope-labelled compound with diverse applications across analytical chemistry, environmental science, and organic synthesis. Its isotopic properties and halogenated structure make it suitable for:

1. Internal Standard for Mass Spectrometry (MS):
   2-Bromopropane-d₇ is widely employed as an isotopically labelled internal standard in gas chromatography-mass spectrometry (GC-MS) and isotope ratio mass spectrometry (IRMS) for quantifying 2-bromopropane and related halogenated hydrocarbons. The +7 Da isotopic shift ensures clear differentiation from the analyte signal while retaining identical volatility and chromatographic retention.

2. Reaction Mechanism and Kinetic Isotope Effect Studies:
   The substitution of hydrogen by deuterium significantly alters vibrational frequencies, allowing precise analysis of kinetic isotope effects (KIEs) in substitution, elimination, and radical halogenation reactions. This property is invaluable in elucidating the mechanism and rate-determining steps of halogen-exchange or nucleophilic substitution processes.

3. Tracer in Environmental and Industrial Chemistry:
   Due to its volatility and chemical stability, 2-Bromopropane-d₇ serves as a labelled tracer for studying atmospheric dispersion, evaporation dynamics, and degradation pathways of halogenated hydrocarbons in environmental matrices.

4. Calibration Standard in Analytical Testing:
   The compound’s consistent isotopic and chemical characteristics make it a dependable reference for method calibration, particularly for volatile organic compound (VOC) analysis in air, soil, and water.

5. NMR Spectroscopy Applications:
   Though primarily used in MS-based applications, 2-Bromopropane-d₇ can also serve as a deuterium source for calibration and background suppression studies in ^1H NMR spectroscopy, especially for investigating halogenated solvent effects and isotopic substitution influences.

6. Synthetic Chemistry:
   Deuterated alkyl halides like 2-Bromopropane-d₇ are key intermediates in the synthesis of isotopically labelled alcohols, amines, and alkanes via substitution or reduction reactions, supporting the preparation of deuterium-labelled pharmaceuticals and fine chemicals.

ADVANTAGES

• High Isotopic Enrichment: ≥ 98 atom % D for accurate isotope ratio measurements.

• Chemical and Physical Equivalence: Matches the non-deuterated compound in volatility, polarity, and chromatographic behavior.

• Distinct Isotopic Mass Shift (M+7): Enables precise mass spectral differentiation and quantification.

• High Purity and Stability: Suitable for long-term storage and repeated analytical use.

• Broad Analytical Utility: Applicable to GC-MS, IRMS, and environmental tracer studies.

• Ideal for Mechanistic and Isotopic Research: Supports kinetic isotope and substitution studies in organic synthesis and physical chemistry.

HANDLING
Although 2-Bromopropane-d₇ is a stable compound, it should be handled carefully due to its volatility and potential irritant properties. Similar to other halogenated hydrocarbons, it can be harmful if inhaled or absorbed through the skin in concentrated form.

• Use in a well-ventilated area or fume hood to avoid inhalation of vapors.

• Wear appropriate protective gloves, goggles, and lab clothing.

• Avoid open flames, sparks, or heat sources.

• Handle under inert atmosphere if long-term storage or reaction use is required.

QUALITY & DOCUMENTATION
All batches of 2-Bromopropane-d₇ from ResolveMass Laboratories Inc. are synthesized using rigorously monitored isotopic exchange reactions followed by precision purification and analytical testing. Quality assurance protocols include confirmation of isotopic enrichment, structural identity, and purity using mass spectrometry, NMR, and IR spectroscopy.

Each product is accompanied by:

• Certificate of Analysis (COA): Confirming isotopic enrichment, purity, and structural verification.

• Safety Data Sheet (SDS): Outlining handling and hazard information.

• Batch Traceability Documentation: Ensuring reproducibility and compliance with analytical standards.

ResolveMass Laboratories Inc. upholds the highest standards in stable isotope chemistry, ensuring that every isotopically labelled compound, including 2-Bromopropane-d₇, meets the precision requirements of advanced analytical and industrial laboratories.

SUMMARY
2-Bromopropane-d₇ is a fully deuterated, high-purity alkyl bromide designed for use as an analytical standard, reaction tracer, and research reagent. With complete isotopic substitution, chemical equivalence, and robust stability, it serves as an indispensable tool in GC-MS quantification, environmental tracing, and mechanistic kinetic studies.

ResolveMass Laboratories Inc. ensures exceptional isotopic quality, analytical verification, and consistency—making 2-Bromopropane-d₇ a trusted choice for scientists requiring precise isotope-labelled materials in research and industrial applications.