Description

4-[(4-Cyanophenyl)-(1,2,4-Triazol-1-Yl)Methyl]-2,3,5,6-Tetradeuteriobenzonitrile is a deuterated organic compound of significant interest in advanced chemical research and development. Its core value lies in its deuterium-labeled structure, which is critical for applications in mechanistic studies, metabolic pathway tracing, and the development of novel active pharmaceutical ingredients (APIs). This high-purity intermediate is primarily needed by pharmaceutical R&D laboratories, agrochemical innovators, and specialized contract research organizations (CROs) focused on isotope chemistry and drug discovery.

Application

• Pharmaceutical Research: As a deuterium-labeled building block for the synthesis of isotopically labeled drug candidates, enabling pharmacokinetic (PK) and pharmacodynamic (PD) studies.
• Metabolic Pathway Analysis: Used as a tracer in mass spectrometry-based studies to investigate drug metabolism and identify metabolites.
• Agrochemical Development: Serves as a key intermediate in the research of novel, deuterated crop protection agents with potentially enhanced properties.
• Material Science Research: Potential use in the development of organic electronic materials where deuterium substitution can influence stability and performance.
• Analytical Reference Standard: Employed as a high-purity internal standard in quantitative LC-MS and GC-MS analysis for accurate measurement.
• Mechanistic Organic Chemistry: A tool for studying reaction mechanisms through kinetic isotope effect (KIE) experiments.

Basic Information

Item	Details
Product Name	4-[(4-Cyanophenyl)-(1,2,4-Triazol-1-Yl)Methyl]-2,3,5,6-Tetradeuteriobenzonitrile
CAS No.	1133712-96-5
Molecular Formula	C17H9D4N5
Molecular Weight	291.33 g/mol (for deuterated form)
Synonyms	2,3,5,6-Tetradeutero-4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile; Deutetrabenazine Impurity; Deuterated Benzonitrile-Triazole Derivative; 4-[(4-Cyanophenyl)-(1,2,4-Triazol-1-Yl)Methyl]benzonitrile-d4; Tetradeuterated VMAT2 Inhibitor Intermediate; 1-(4-Cyanobenzhydryl)-1,2,4-triazole-d4; [D4]-4-[(4-Cyanophenyl)(1,2,4-triazol-1-yl)methyl]benzonitrile
EINECS	Contact for details

Quality Control

Our 4-[(4-Cyanophenyl)-(1,2,4-Triazol-1-Yl)Methyl]-2,3,5,6-Tetradeuteriobenzonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including NMR (¹H, ¹³C, ²H) for structural and isotopic purity confirmation, HPLC for chemical purity assessment, and mass spectrometry. Certificates of Analysis (COA) detailing batch-specific results for identity, assay, isotopic enrichment, and impurity profiles are available upon request to ensure compliance with your research specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). The compound is light-sensitive and should be handled under appropriate conditions to maintain stability. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Enrichment (²H NMR/MS)	≥ 98 atom % D
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.