Description

Benzyl-2,3,4,5,6-D5 Chloride is a deuterated derivative of benzyl chloride, where five hydrogen atoms on the aromatic ring are replaced with deuterium (D), a stable hydrogen isotope. This deuteration is critical for applications requiring isotopic labeling, such as in the synthesis of internal standards for mass spectrometry, which enhances analytical precision and reliability. It is an essential building block for researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors who require high-purity, isotopically labeled intermediates for drug metabolism studies, tracer synthesis, and NMR spectroscopy.

Application

• Pharmaceutical Research & Development: Synthesis of deuterated drug candidates and metabolites for improved pharmacokinetic studies (DMPK) and as non-radioactive isotopic tracers.
• Analytical Chemistry: Used as a precursor for preparing internal standards (e.g., deuterated benzyl alcohols, acids) for accurate quantification via GC-MS or LC-MS, minimizing matrix effects.
• Agrochemical Science: Incorporation into labeled pesticide or herbicide molecules to study environmental fate, degradation pathways, and residue analysis.
• Material Science: Acts as a specialized monomer or modifying agent in the synthesis of deuterated polymers or liquid crystals for advanced optical and electronic applications.
• NMR Spectroscopy: Serves as a valuable starting material for synthesizing deuterated probes or solvents, aiding in complex structural elucidation by simplifying spectra.
• Organic Synthesis: A versatile alkylating agent for introducing the benzyl-D5 group into complex molecules under standard benzylation conditions.

Basic Information

Product Name	Benzyl-2,3,4,5,6-D5 Chloride
CAS No.	68661-11-0
Molecular Formula	C7D5H2Cl
Molecular Weight	131.61 g/mol
Synonyms	(Phenyl-D5)methyl Chloride; α-Chlorotoluene-D5; Benzyl-D5 Chloride; Deuterated Benzyl Chloride; (2,3,4,5,6-Pentadeuteriobenzyl) Chloride; Toluene-α,2,3,4,5,6-D6 Chloride?; Benzyl Chloride (phenyl-D5)
EINECS	Contact for details

Quality Control

Our Benzyl-2,3,4,5,6-D5 Chloride is manufactured under strict quality systems. Each batch undergoes comprehensive analysis to ensure high chemical purity and isotopic enrichment, typically exceeding 98 atom % D. Certificates of Analysis (COA) are provided, detailing results for assay, isotopic purity (by 1H NMR or MS), and impurity profiles. We support compliance with relevant ICH guidelines for pharmaceutical impurities and can tailor specifications to meet specific research or cGMP starting material requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Keep away from strong acids, bases, and oxidizing agents. Due to its lachrymatory and moisture-sensitive nature, containers should be kept sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to maintain stability and purity.

Specification

Item	Specification
Appearance	Colorless to pale yellow clear liquid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 98.0%
Isotopic Purity (1H NMR/MS)	≥ 98 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.