Description

2,3,4,6-Tetradeuterio-5-Ethynylaniline is a deuterium-labeled derivative of 5-ethynylaniline, a key building block in advanced organic synthesis. This compound is specifically designed for use as a stable isotope-labeled internal standard or tracer in analytical and research applications, ensuring superior accuracy and reliability in quantitative analysis. It is essential for researchers and developers in the pharmaceutical, agrochemical, and material science industries who require precise tracking of molecular pathways and metabolism studies.

Application

• Pharmaceutical Research: As a stable isotope-labeled internal standard in Liquid Chromatography-Mass Spectrometry (LC-MS) and Gas Chromatography-Mass Spectrometry (GC-MS) for the accurate quantification of active pharmaceutical ingredients (APIs) and metabolites.
• Metabolomics & Pharmacokinetics: Used as a tracer to study drug absorption, distribution, metabolism, and excretion (ADME) in preclinical and clinical research.
• Organic Synthesis Intermediate: Serves as a specialized building block for synthesizing deuterium-labeled complex molecules, including polymers, ligands, and advanced materials.
• Agrochemical Development: Employed in the research and analysis of pesticides and herbicides to understand environmental fate and degradation pathways.
• Material Science: A precursor for creating deuterated organic semiconductors or liquid crystals where specific isotopic substitution is required to modify electronic or physical properties.
• Analytical Reference Standard: Provides a high-purity, certified reference material for method development and validation in analytical laboratories.

Basic Information

Product Name	2,3,4,6-Tetradeuterio-5-Ethynylaniline
CAS No.	1794883-73-0
Molecular Formula	C8H3D4N
Molecular Weight	121.18 g/mol (for C8H3D4N)
Synonyms	5-Ethynylaniline-d4; 5-Ethynylbenzenamine-d4; 2,3,4,6-Tetradeutero-5-ethynylaniline; Aniline-d4, 5-ethynyl-; 1-Amino-2,3,5,6-tetradeuterio-4-ethynylbenzene; Deuterated 5-Ethynylaniline; 4-Ethynyl-2,3,5,6-tetradeuterioaniline; 5-Ethynylphenylamine-d4
EINECS	Contact for details

Quality Control

Our deuterated compounds are manufactured under strict quality control protocols to ensure exceptional isotopic purity and chemical integrity. Each batch is characterized using advanced analytical techniques including NMR (¹H and ²H), HPLC, and Mass Spectrometry. A comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (typically >98 atom % D), chemical purity, and analytical data is provided with every shipment to support your research and compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is moisture-sensitive (hygroscopic); ensure the container is sealed under an inert atmosphere after each use to maintain stability and prevent degradation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (NMR/MS)	≥ 98 atom % D
Chemical Purity (by GC/HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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