Description

3,3,3-Trideuterio-2-(Trideuteriomethyl)Propanenitrile is a deuterated organic compound, specifically a fully deuterated derivative of isobutyronitrile. This product is a critical stable isotope-labeled building block, enabling advanced research and development in analytical chemistry and life sciences. It is primarily utilized by pharmaceutical, agrochemical, and academic research institutions for applications requiring precise molecular tracking and spectroscopic analysis.

Application

• Internal Standard for Mass Spectrometry (MS): Serves as a high-purity, non-interfering reference compound in quantitative GC-MS and LC-MS analysis for accurate metabolite profiling and pharmacokinetic studies.
• NMR Spectroscopy Solvent & Reagent: Used as a deuterated solvent or a labeled precursor in Nuclear Magnetic Resonance (NMR) to eliminate background signal interference and study molecular structure and dynamics.
• Pharmaceutical Research & Development: Acts as a key synthetic intermediate in the preparation of deuterated drug candidates for improved metabolic stability, bioavailability, and clinical trial tracing.
• Metabolic Pathway Tracing: Employed in biochemical research to trace and elucidate complex metabolic pathways and mechanisms of action within biological systems.
• Agrochemical Research: Utilized in the development and environmental fate studies of novel, labeled pesticides and herbicides.
• Organic Synthesis Building Block: Provides a versatile, deuterium-labeled nitrile functional group for the synthesis of more complex, isotopically labeled molecules.

Basic Information

Product Name	3,3,3-Trideuterio-2-(Trideuteriomethyl)Propanenitrile
CAS No.	174736-88-0
Molecular Formula	C4D6N
Molecular Weight	74.13 g/mol
Synonyms	Perdeuterated isobutyronitrile; (CD3)2CDCN; 2-Methylpropanenitrile-d6; Isobutyronitrile-d6; Isobutyronitrile-2,3,3,3-d4; Isobutanenitrile-d6; 2-(Trideuteriomethyl)-3,3,3-trideuteriopropanenitrile
EINECS	Contact for details

Quality Control

Our deuterated chemicals are produced and handled under strict quality control protocols to ensure isotopic purity and chemical integrity. Each batch is analyzed using advanced techniques including NMR, GC-MS, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (D-atom %), chemical purity, and solvent residues is provided with every shipment to support your critical research and compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated place at room temperature (15-25°C). Due to its highly volatile nature, ensure containers are securely sealed and stored upright away from heat and ignition sources.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (D-atom %)	≥ 98.0%
Water Content (KF)	≤ 0.5%

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