Description

Methyl-D3 Isocyanate CAS NO 74829-45-1 is a deuterated isotopologue of methyl isocyanate, where three hydrogen atoms are replaced by deuterium. This stable isotope-labeled compound is essential for advanced analytical and research applications where precise molecular tracking and minimal background interference are critical. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and analytical chemistry sectors for applications such as mass spectrometry, metabolic studies, and the synthesis of labeled target molecules.

Application

• Internal standard for the quantitative analysis of methyl isocyanate and related compounds via Gas Chromatography-Mass Spectrometry (GC-MS) and Liquid Chromatography-Mass Spectrometry (LC-MS).
• Tracer compound in metabolic pathway studies and pharmacokinetic research within drug discovery and development.
• Key precursor for the synthesis of deuterium-labeled pharmaceutical intermediates and active pharmaceutical ingredients (APIs).
• Building block in the preparation of labeled agrochemicals (e.g., pesticides, herbicides) for environmental fate and metabolism studies.
• Use in NMR spectroscopy as a tool for mechanistic studies and structural elucidation.
• Research applications in chemical reaction mechanism analysis and isotope effect investigations.

Basic Information

Product Name	Methyl-D3 Isocyanate
CAS No.	74829-45-1
Molecular Formula	C2D3NO
Molecular Weight	60.07 g/mol (for C2D3NO)
Synonyms	Deuterated Methyl Isocyanate; Methyl-d3 Isocyanate; (Trideuteriomethyl)isocyanate; Isocyanatomethane-d3; Methyl Isocyanate-d3; CD3NCO; NSC 163040; Methyl Isocyanate (D3)
EINECS	Contact for details

Quality Control

Our Methyl-D3 Isocyanate is produced and handled under stringent quality protocols to ensure high isotopic purity and chemical integrity, meeting the exacting requirements of research and analytical applications. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing parameters such as isotopic purity (D-enrichment), chemical purity, and identity confirmation. We adhere to relevant industry standards for stable isotope-labeled compounds.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly volatile nature, store in a cool, well-ventilated place. Recommended storage temperature is 2-8°C. Keep under an inert atmosphere (e.g., nitrogen or argon) to maintain stability and prevent moisture ingress. Isocyanate compounds should be stored separately from strong bases, acids, and alcohols.

Specification

Item	Specification
Appearance	Colorless liquid
Identification (IR)	Conforms
Purity (GC)	≥ 98.0%
Isotopic Purity (D-enrichment)	≥ 98 atom % D
Water Content (KF)	≤ 0.1%

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