Description

2-[3-(2-Cyano-1,1,1,3,3,3-Hexadeuteriopropan-2-Yl)-5-Methylphenyl]-3,3,3-Trideuterio-2-(Trideuteriomethyl)Propanenitrile is a deuterated organic compound, specifically a deuterium-labeled version of a key chemical intermediate. This product is critical for research and development in the pharmaceutical and agrochemical industries, where deuterium labeling is used to study metabolic pathways, improve drug stability, and trace chemical reactions. It is primarily needed by scientists and manufacturers engaged in the synthesis of deuterated active pharmaceutical ingredients (APIs), advanced material science, and analytical method development using techniques like mass spectrometry and NMR.

Application

• Deuterated Pharmaceutical Intermediate: A key building block for synthesizing deuterium-labeled drug candidates, enhancing metabolic stability and enabling pharmacokinetic studies.
• Metabolic Pathway Tracer: Used in biomedical research as a stable isotope tracer to investigate drug metabolism and biochemical mechanisms.
• Internal Standard for Mass Spectrometry: Serves as a high-purity quantitative standard in LC-MS and GC-MS analysis for accurate bioanalytical measurements.
• Agrochemical Research: Employed in the development of novel, labeled pesticides and herbicides to study environmental fate and degradation.
• NMR Spectroscopy: Utilized as a probe in nuclear magnetic resonance studies due to its distinct spectral properties, aiding in structural elucidation.
• Material Science Research: Acts as a precursor for creating deuterated polymers or organic electronic materials with modified physical properties.

Basic Information

Product Name	2-[3-(2-Cyano-1,1,1,3,3,3-Hexadeuteriopropan-2-Yl)-5-Methylphenyl]-3,3,3-Trideuterio-2-(Trideuteriomethyl)Propanenitrile
CAS No.	1185098-75-2
Molecular Formula	C15H9D9N2
Molecular Weight	235.35 g/mol
Synonyms	Deuterated Dicyanomesitylene; 2,6-Bis(trideuteriomethyl)-4-(2-cyano-1,1,1,3,3,3-hexadeuterio-2-propanyl)benzonitrile-d9; D9-Labeled Dicyanomesitylene Derivative; 2-[3-(2-Cyano-1,1,1,3,3,3-hexadeuterio-propan-2-yl)-5-methyl-phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile; Perdeuterated Nitrile Intermediate; Deuterium Labeled Aromatic Dinitrile
EINECS	Contact for details

Quality Control

Our deuterated chemicals are produced under strict quality control protocols to ensure isotopic purity and chemical integrity. Each batch is characterized by advanced analytical techniques including NMR, HPLC, and Mass Spectrometry to confirm deuterium incorporation and chemical purity. Certificates of Analysis (COA) detailing isotopic enrichment (D%), chemical purity, and impurity profiles are provided with every shipment. We adhere to cGMP guidelines where applicable to support regulatory filings in pharmaceutical development.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed in a dry environment to prevent moisture absorption. For long-term storage, consider using desiccants or storing under an inert atmosphere such as argon or nitrogen.

Specification

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