Description

Methyl-13C Trifluoromethanesulfonate is a stable isotope-labeled methylating agent, specifically a 13C-labeled analog of methyl triflate. This compound is essential for introducing a 13C-labeled methyl group into target molecules, enabling precise tracking and analysis in advanced research. It is a critical reagent for scientists in pharmaceutical development, agrochemical research, and materials science who require high-purity, isotopically labeled building blocks for NMR spectroscopy, metabolic studies, and reaction mechanism elucidation.

Application

• Pharmaceutical Research & Development: Used as a 13C-labeled methylating agent in the synthesis of isotopically labeled drug candidates and metabolites for pharmacokinetic and metabolic pathway studies.
• NMR Spectroscopy & Analytical Chemistry: Serves as a crucial standard and reagent for 13C Nuclear Magnetic Resonance (NMR) spectroscopy, aiding in structural elucidation and quantitative analysis.
• Agrochemical Development: Employed in the synthesis of labeled pesticide and herbicide analogs to study environmental fate, degradation pathways, and bioaccumulation.
• Reaction Mechanism Studies: Utilized in mechanistic organic chemistry to trace the origin and destination of methyl groups in catalytic cycles and complex reactions.
• Material Science: Applied in the surface modification and functionalization of materials where a labeled methyl group is required for analytical tracking.
• Stable Isotope Labeling: A key precursor for the preparation of a wide range of 13C-labeled organic compounds across multiple scientific disciplines.

Basic Information

Product Name	Methyl-13C Trifluoromethanesulfonate
CAS No.	207556-12-5
Molecular Formula	13CH3CF3O3S or C2H3F3O3S (with 13C label)
Molecular Weight	164.10 g/mol (13C labeled)
Synonyms	Methyl-13C Triflate; 13C-Methyl Trifluoromethanesulfonate; (13C)Methyl Triflate; Trifluoromethanesulfonic-13C acid methyl ester; Methyl ester of trifluoromethanesulfonic-13C acid; Methyl-13C Trifluoromethanesulphonate; 13C-Labeled Methyl Triflate
EINECS	Contact for details

Quality Control

Every batch of Methyl-13C Trifluoromethanesulfonate is manufactured and analyzed under strict quality control protocols to ensure the highest isotopic and chemical purity for research applications. Our products undergo rigorous testing, including NMR and HPLC analysis, to confirm identity, isotopic enrichment, and purity. Certificates of Analysis (COA) detailing batch-specific results are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly volatile and hygroscopic (moisture-sensitive) nature, this product should be stored in a cool, dry, and well-ventilated place. For long-term stability, storage under an inert atmosphere (e.g., nitrogen or argon) in a freezer (e.g., -20°C) is recommended. Keep away from strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98%
Isotopic Enrichment (13C)	≥ 99 atom %
Water Content (KF)	≤ 0.5%

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