Description

Benzaldehyde-α-D1 CAS NO 3592-47-0 is a deuterated isotopologue of benzaldehyde, where a hydrogen atom at the alpha position is replaced by a deuterium atom. This isotopic labeling is critical for applications requiring precise molecular tracking and reduced metabolic interference. It is an essential building block and analytical standard for researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors.

Application

• Pharmaceutical Research & Development: Used as a deuterated intermediate in the synthesis of isotopically labeled drug candidates for pharmacokinetic (ADME) studies, metabolic pathway tracing, and the development of deuterated drugs.
• Analytical Chemistry & Mass Spectrometry: Serves as an internal standard for quantitative analysis via GC-MS or LC-MS, improving accuracy by correcting for instrument variability and sample preparation losses.
• Mechanistic & Kinetic Studies: Employed in reaction mechanism elucidation and kinetic isotope effect (KIE) studies to understand catalytic pathways and reaction rates.
• Agrochemical Development: Utilized in the synthesis of labeled pesticides or herbicides to study environmental fate, degradation pathways, and residue analysis.
• Fragrance & Flavor Chemistry: Acts as a labeled precursor for investigating the biosynthesis and stability of aromatic compounds.
• NMR Spectroscopy Solvent & Reagent: Provides a useful deuterated shift reference or starting material for preparing other deuterated solvents and NMR probes.

Basic Information

Product Name	Benzaldehyde-α-D1
CAS No.	3592-47-0
Molecular Formula	C7H5DO
Molecular Weight	107.13 g/mol
Synonyms	Benzaldehyde-α-d1; (Deuterioformyl)benzene; α-Deuterobenzaldehyde; Benzaldehyde-d1 (alpha); Phenyl(deuterio)methanone; Benzenecarbaldehyde-α-d1; C6H5CDO; Deuteriobenzaldehyde
EINECS	Contact for details

Quality Control

Our Benzaldehyde-α-D1 is produced under strict quality management systems. Each batch undergoes comprehensive analysis to ensure high isotopic purity and chemical integrity, meeting the stringent requirements for research and synthesis. Certificates of Analysis (COA) detailing isotopic enrichment (D%), chemical purity (by GC/HPLC), and identity confirmation (by NMR, IR) are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at 2-8°C to minimize oxidation and maintain stability. Keep the container in a cool, dry, and well-ventilated area, away from heat sources and incompatible materials.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR / NMR)	Conforms to structure
Isotopic Purity (D%)	≥ 98 atom % D
Chemical Purity (GC)	≥ 99.0%
Water Content (KF)	≤ 0.5%

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