Description

Phenylacetylene-D6 CAS NO 25837-47-2 is a deuterated isotopologue of phenylacetylene, where six hydrogen atoms are replaced with deuterium. This high isotopic purity makes it an essential internal standard and tracer in quantitative mass spectrometry and NMR spectroscopy, ensuring analytical accuracy and reliability. It is a critical reagent for researchers and manufacturers in pharmaceutical development, agrochemical research, and advanced material science, particularly for kinetic isotope effect studies and reaction mechanism elucidation.

Application

• Internal Standard for Mass Spectrometry (MS): Used as a quantitative reference standard in GC-MS and LC-MS analysis of pharmaceuticals and metabolites.
• NMR Spectroscopy Solvent & Tracer: Serves as a deuterated solvent probe and tracer in nuclear magnetic resonance studies for structural analysis.
• Pharmaceutical Research & Development: Employed in the synthesis and metabolic studies of deuterated drug candidates to enhance metabolic stability.
• Mechanistic Organic Chemistry Studies: Utilized to investigate kinetic isotope effects and detailed reaction pathways in catalytic and synthetic processes.
• Material Science Research: Acts as a precursor or labeling agent in the development of novel polymers and advanced organic electronic materials.
• Agrochemical Analysis: Applied as a standard in the environmental and residue analysis of pesticides and their degradation products.

Basic Information

Product Name	Phenylacetylene-D6
CAS No.	25837-47-2
Molecular Formula	C8D6
Molecular Weight	108.17 g/mol
Synonyms	(Phenylethynyl)-d5-d; Ethynylbenzene-D6; Deuteriobenzene, ethynyl-; Benzene, ethynyl-1,2,3,4,5,6-d6-; Phenylacetylene-d6; 1,2,3,4,5,6-D6-Phenylacetylene; Ethynyl-d5-benzene-d; Deuterated Phenylacetylene
EINECS	Contact for details

Quality Control

Every batch of Phenylacetylene-D6 is produced and analyzed under strict quality management protocols to ensure exceptional isotopic and chemical purity. Our standard grade typically meets a deuterium enrichment of 99% atom D or higher, confirmed by quantitative NMR and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing isotopic purity, chemical assay, and impurity profile is provided with each shipment to support your critical research and compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly volatile nature, store in a cool, well-ventilated place at room temperature (15-25°C). For long-term stability, consider storage under an inert atmosphere such as argon or nitrogen.

Specification

Item	Specification
Appearance	Clear Colorless to Pale Yellow Liquid
Identification (IR)	Conforms to Reference Spectrum
Identification (NMR)	Conforms to Structure
Purity (GC)	≥ 98.0%
Deuterium Enrichment (NMR/MS)	≥ 99.0 atom % D
Water Content (KF)	≤ 0.1%

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