Description

(1-Bromoethyl-2,2,2-D3)Benzene is a deuterium-labeled isotopologue of (1-bromoethyl)benzene, a valuable building block in synthetic organic chemistry. This compound is specifically designed for use in advanced research and development, where isotopic labeling is critical for mechanistic studies, metabolic pathway tracing, and analytical method development. It is an essential reagent for pharmaceutical, agrochemical, and material science researchers requiring high-purity, isotopically enriched intermediates.

Application

• Pharmaceutical Research: As a deuterated synthon for the preparation of isotopically labeled drug candidates in pharmacokinetic (PK), pharmacodynamic (PD), and metabolism studies.
• Analytical Chemistry: Serving as an internal standard for quantitative mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy, improving analytical accuracy and reproducibility.
• Mechanistic Studies: Used in reaction mechanism elucidation, including kinetic isotope effect (KIE) investigations, to understand reaction pathways and transition states.
• Agrochemical Development: Incorporation into novel, labeled pesticide or herbicide molecules for environmental fate and metabolism studies.
• Material Science: Potential precursor for synthesizing deuterated polymers or liquid crystals, where isotopic substitution can modify physical properties.
• Chemical Synthesis: A versatile alkylating agent for introducing the phenethyl moiety with a deuterated methyl group into more complex molecular architectures.

Basic Information

Product Name	(1-Bromoethyl-2,2,2-D3)Benzene
CAS No.	23088-42-8
Molecular Formula	C8H6D3Br
Molecular Weight	200.09 g/mol
Synonyms	(1-Bromoethyl-d3)benzene; α-Bromoethyl-d3-benzene; (1-Bromoethyl-d3)benzene; Phenethyl-d3 bromide; Benzene, (1-bromoethyl-2,2,2-d3)-; 1-Bromo-1-phenylethane-1,1,1-d3; (1-Bromoethyl)benzene-d3; Deuterated (1-Bromoethyl)benzene
EINECS	Contact for details

Quality Control

Our deuterated chemicals are produced and handled under strict quality protocols to ensure isotopic purity and chemical integrity. Each batch of (1-Bromoethyl-2,2,2-D3)Benzene is characterized by NMR (¹H, ¹³C) and mass spectrometry to confirm isotopic enrichment and chemical purity. Certificates of Analysis (COA) detailing assay, isotopic purity, and impurity profiles are provided and can be tailored to meet specific research or regulatory requirements.

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). This compound is sensitive to strong acids and organic solvents; keep away from incompatible materials. For long-term storage under inert atmosphere, please contact our technical team for specific recommendations.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 97.0%
Isotopic Purity (D-content, NMR/MS)	≥ 98.0 atom % D
Water Content (KF)	≤ 0.5%

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