Description

Benzyl-Alpha,α-D2 Bromide CAS NO 51271-29-5 is a deuterium-labeled isotopologue of benzyl bromide, where two hydrogen atoms at the alpha position are replaced with deuterium. This isotopic labeling is critical for applications in mechanistic studies, metabolic pathway tracing, and as an internal standard in quantitative mass spectrometry. It is an essential building block for pharmaceutical, agrochemical, and advanced material researchers who require precise isotopic purity for kinetic isotope effect (KIE) studies and the synthesis of labeled compounds.

Application

• Pharmaceutical Research & Development: As a deuterated synthon for the preparation of isotopically labeled active pharmaceutical ingredients (APIs) for drug metabolism and pharmacokinetics (DMPK) studies.
• Analytical Chemistry: Serving as a high-purity internal standard for accurate quantification using Gas Chromatography-Mass Spectrometry (GC-MS) or Liquid Chromatography-Mass Spectrometry (LC-MS).
• Mechanistic Studies: Used in kinetic isotope effect (KIE) experiments to investigate reaction mechanisms in organic and organometallic chemistry.
• Agrochemical Development: Incorporation into labeled pesticide or herbicide molecules to study environmental fate, degradation pathways, and residue analysis.
• Material Science: A precursor for synthesizing deuterated polymers or organic electronic materials where isotopic substitution modifies physical properties.
• NMR Spectroscopy: Useful as a deuterated reagent to simplify proton NMR spectra by reducing signal interference in complex synthetic mixtures.

Basic Information

Item	Details
Product Name	Benzyl-Alpha,α-D2 Bromide
CAS No.	51271-29-5
Molecular Formula	C7H5D2Br
Molecular Weight	173.03 g/mol
Synonyms	(Alpha,α-D2)Benzyl Bromide; Benzyl-α,α-d2 Bromide; (D2)Benzyl Bromide; Phenyl-D2-methyl Bromide; (Bromomethyl-d2)benzene; Deutero-Benzyl Bromide; α,α-Dideuteriobenzyl Bromide; Benzyl Bromide-d2
EINECS	Contact for details

Quality Control

Every batch of Benzyl-Alpha,α-D2 Bromide is manufactured and tested under strict quality management protocols. We guarantee high isotopic purity and chemical purity, supported by comprehensive analytical data including NMR (¹H, ²H), GC-MS, and HPLC. A detailed Certificate of Analysis (COA), specifying isotopic enrichment (D atom %), chemical assay, and impurity profile, is provided with each shipment to ensure it meets your research and development specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent decomposition. Keep away from strong acids and incompatible materials.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (D atom %)	≥ 98.0% (by ²H NMR)
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.