Description

4-(Trideuteriomethyl)-2H-Benzotriazole is a deuterated derivative of the widely used ultraviolet light absorber and corrosion inhibitor, benzotriazole. This compound is specifically designed for applications requiring stable isotope labeling, offering enhanced stability and unique spectroscopic properties for advanced research and development. It is a critical material for scientists and engineers in the pharmaceutical, agrochemical, and material science industries, particularly for use in mechanistic studies, metabolic research, and as a tracer in analytical chemistry.

Application

• Pharmaceutical Research & Development: Used as a stable isotope-labeled internal standard in Liquid Chromatography-Mass Spectrometry (LC-MS) and Gas Chromatography-Mass Spectrometry (GC-MS) for the quantitative analysis of benzotriazole-based drug candidates and their metabolites.
• Metabolic Pathway Tracing: Serves as a deuterium tracer in pharmacokinetic and metabolic studies to track the absorption, distribution, metabolism, and excretion (ADME) of compounds in biological systems.
• Polymer & Material Science: Employed in the development of advanced polymeric materials where deuterated benzotriazole derivatives act as UV stabilizers, allowing for detailed study of polymer photodegradation and stabilization mechanisms using techniques like NMR.
• Analytical Chemistry: Functions as a high-purity reference standard for calibrating analytical instruments and validating methods for the detection of benzotriazole and its analogs in environmental or product samples.
• Agrochemical Development: Utilized in the synthesis and study of novel deuterated agrochemicals to investigate their environmental fate, degradation pathways, and efficacy.
• Mechanistic Organic Chemistry: Acts as a probe in kinetic isotope effect (KIE) studies to elucidate reaction mechanisms and transition states in organic synthesis.

Basic Information

Product Name	4-(Trideuteriomethyl)-2H-Benzotriazole
CAS No.	1219151-49-1
Molecular Formula	C7H4D3N3
Molecular Weight	137.16 g/mol
Synonyms	4-(Trideuteromethyl)-1H-benzotriazole; 4-(CD3)-BTA; Deuterated Tolyltriazole; 4-(Methyl-d3)-1H-benzotriazole; 4-(Trideuteriomethyl)-1H-1,2,3-benzotriazole; 1H-Benzotriazole-4-methyl-d3; 4-(Methyl-d3)benzotriazole
EINECS	Contact for details

Quality Control

Every batch of 4-(Trideuteriomethyl)-2H-Benzotriazole is manufactured and analyzed under strict quality management systems. We provide comprehensive analytical data to ensure product identity, purity, and isotopic enrichment meet the exacting standards required for research and development. Certificates of Analysis (COA) detailing results from NMR, HPLC, and MS are available for each lot, confirming specifications for chemical purity, deuterium incorporation, and impurity profiles.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (15-25°C). Keep the container tightly sealed to protect from moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Deuterium Incorporation	≥ 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.