2-Methylimidazole-d6 | CAS 1173022-19-9

OVERVIEW  of  2-Methylimidazole-d6 | CAS 1173022-19-9

2-Methylimidazole-d₆ (CAS 1173022-19-9) is a fully deuterated analog of 2-methylimidazole, a heterocyclic aromatic compound widely used in organic synthesis, catalysis, and pharmaceutical chemistry. In this isotopically labeled variant, all six hydrogen atoms in the molecule are replaced by deuterium, resulting in a mass shift of +6 Da. This modification makes 2-methylimidazole-d₆ highly valuable as a stable isotope-labeled internal standard for mass spectrometric (MS) and nuclear magnetic resonance (NMR) studies.

Chemically and structurally equivalent to its non-deuterated counterpart, this compound is ideal for quantitative analysis, reaction mechanism elucidation, and metabolic studies where isotopic differentiation is essential. Its stability, high isotopic enrichment, and precise deuteration make it an indispensable reagent in both academic and industrial research.

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CHEMICAL INFORMATION

• Name: 2-Methylimidazole-d₆

• Molecular Formula: C₄D₆N₂

• Molecular Weight: 88.14 g/mol

• CAS Number: 1173022-19-9

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated heterocyclic amine; stable isotope-labeled compound

• Stability: Chemically and isotopically stable under standard laboratory conditions

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APPLICATIONS  of  2-Methylimidazole-d6 | CAS 1173022-19-9

• Mass Spectrometry (MS) and Isotope Dilution Analysis:
  Commonly used as an internal standard for GC-MS and LC-MS/MS analysis, ensuring accurate quantification of 2-methylimidazole and related imidazole derivatives in food, environmental, and biological samples.

• Pharmaceutical and Biochemical Research:
  Utilized in drug metabolism, enzyme interaction, and biochemical pathway studies where isotope-labeled analogs enable precise tracing of molecular transformations.

• Food Safety and Toxicological Studies:
  Supports monitoring of imidazole compounds that may arise during food processing, roasting, or caramelization, providing data for regulatory and safety assessments.

• Reaction Mechanism and Catalysis Studies:
  Serves as a tracer in kinetic isotope effect (KIE) and mechanistic reaction analyses, particularly in catalytic systems involving imidazole intermediates.

• NMR Spectroscopy:
  Fully deuterated form significantly reduces proton background signals, improving clarity in ¹H NMR studies and enabling detailed ²H NMR analysis.

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ADVANTAGES  of  2-Methylimidazole-d6 | CAS 1173022-19-9

• Produces a distinct +6 Da mass shift, enabling clear isotopic distinction in MS analyses.

• Exhibits identical physicochemical and chromatographic properties to native 2-methylimidazole.

• Ensures high accuracy, sensitivity, and reproducibility in isotope dilution and quantitative studies.

• Fully deuterated, non-radioactive, and stable—ideal for routine analytical and research applications.

• Supports high-precision quantitation in regulatory and industrial laboratories.

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HANDLING, STORAGE & SAFETY

• Handling: Use in well-ventilated laboratory environments. Avoid inhalation or direct contact. Handle with standard PPE (gloves, lab coat, goggles).

• Storage: Store in a tightly sealed container at 2–8 °C, protected from light and humidity.

• Safety: Low toxicity; may cause slight irritation upon prolonged contact. Follow standard safety guidelines for handling organic chemicals.

• Disposal: Dispose of waste materials according to local and institutional regulations for organic laboratory chemicals.

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QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Form: Crystalline solid

• Analytical Verification: Confirmed by ¹H NMR, ²H NMR, and LC-MS

• Documentation: Certificate of Analysis (CoA) provided with confirmation of isotopic enrichment and purity

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SUMMARY
2-Methylimidazole-d₆ (CAS 1173022-19-9) is a high-purity, fully deuterated isotope-labeled compound designed for precise quantitative and mechanistic analyses in chemical, pharmaceutical, and toxicological research. Its high isotopic enrichment and chemical equivalence to the native compound make it ideal for LC-MS/MS calibration, isotope dilution assays, and NMR spectroscopy. With outstanding stability and reproducibility, 2-Methylimidazole-d₆ is a trusted reference material for analytical laboratories focused on accurate detection, quantification, and traceability of imidazole-based compounds.

 

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