Iodomethane-d3 | CAS 865-50-9

PRODUCT NAME
Iodomethane‑d₃

CAS NUMBER
865‑50‑9

MOLECULAR FORMULA
CD₃I

MOLECULAR WEIGHT
144.96 g/mol

OVERVIEW

Iodomethane-d3 | CAS 865-50-9 (also known as deuterated iodomethane) is a high‑purity isotopically labeled reagent widely used in analytical chemistry, synthetic organic chemistry, and mass spectrometry. In this compound, the three hydrogen atoms of iodomethane (CH₃I) are replaced with deuterium (D), providing a distinctive isotopic pattern that makes Iodomethane‑d₃ an invaluable internal standard or labeling reagent. The presence of deuterium enhances analytical accuracy and precision by enabling clear differentiation of labeled and unlabeled species in quantitative assays.

This product is manufactured under stringent quality controls to ensure a consistent isotopic enrichment suitable for research, pharmaceutical development, and industrial applications.

ISOTOPIC PURITY AND ENRICHMENT

Iodomethane‑d₃ is characterized by a high degree of deuterium incorporation at the methyl group, typically exceeding 98% D content. This enriched isotopic composition minimizes isotopic interference and enhances signal resolution in mass spectrometric analysis. The high isotopic purity also supports accurate quantification when used as an internal standard in complex matrices.

Key benefits of high isotopic enrichment include:

• Reduced spectral overlap with native analytes

• Enhanced quantitation sensitivity

• Improved method reproducibility

Certified isotopic profiles are provided as part of the product documentation to support traceability and analytical validation.

TECHNICAL APPLICATIONS  of  Iodomethane-d3 | CAS 865-50-9

Iodomethane‑d₃ serves as a versatile reagent in many scientific and technical fields:

1. MASS SPECTROMETRY AND CHROMATOGRAPHY
Iodomethane‑d₃ is widely used as an internal standard in quantitative mass spectrometry methods, including GC‑MS and LC‑MS. Its deuterium labels create a mass shift that allows analysts to distinguish it clearly from endogenous iodomethane or CH₃I derivatized products, enhancing quantitation accuracy in complex biological, environmental, or pharmaceutical matrices.

2. ISOTOPIC LABELING STUDIES
Researchers use Iodomethane‑d₃ in mechanistic studies and metabolic tracing. Deuterium labeling enables tracking molecular transformations, reaction pathways, and metabolic fate of compounds in biological systems or synthetic sequences.

3. SYNTHETIC ORGANIC CHEMISTRY
In organic synthesis, Iodomethane‑d₃ functions as a methylating agent where isotopic labeling is desired. It can be employed in nucleophilic substitution reactions, offering a method to introduce deuterated methyl groups into target molecules with high selectivity.

4. REFERENCE STANDARD FOR METHOD DEVELOPMENT
Due to its defined isotopic composition and stability, Iodomethane‑d₃ is useful as a calibration standard in method development for environmental, toxicological, and forensic laboratories.

ANALYTICAL CHARACTERIZATION

Each batch of Iodomethane‑d₃ is characterized using multiple analytical techniques to ensure conformity with quality specifications:

• NMR Spectroscopy (¹H/²H/¹³C) — Confirms chemical structure and deuterium incorporation.

• Mass Spectrometry (GC‑MS/LC‑MS) — Verifies isotopic enrichment and purity.

• GC/GC‑FID Analysis — Assesses chemical purity and volatile profile.

• Infrared (IR) Spectroscopy — Confirms functional groups and absence of major contaminants.

A Certificate of Analysis (CoA) accompanies each lot, detailing assay results, isotopic enrichment data, and storage recommendations.

SAFETY INFORMATION

Iodomethane‑d₃ should be handled with appropriate care. Although structurally similar to iodomethane (CH₃I), which is known to be toxic and potentially harmful if inhaled or absorbed through the skin, deuterated analogues share similar hazards and should not be considered safer by virtue of isotopic substitution alone.

Key safety considerations:

• Use in a well‑ventilated fume hood

• Avoid inhalation, ingestion, and skin contact

• Wear appropriate PPE (gloves, goggles, lab coat)

• Store under inert atmosphere away from heat and open flame

Refer to the Safety Data Sheet (SDS) for detailed hazard identification, first‑aid measures, and disposal instructions.

QUALITY ASSURANCE

ResolveMass Laboratories Inc. adheres to rigorous quality management practices. Every batch of Iodomethane‑d₃ undergoes strict in‑process controls and final release testing. Our quality systems support traceability, reproducibility, and compliance with industry standards.

Customers receive:

• Lot‑specific Certificate of Analysis

• Batch identification and manufacturing date

• Analytical validation data