Description

Acetonitrile-2-13C-2,2,2-D3 is a stable isotope-labeled analog of acetonitrile, specifically enriched with carbon-13 at the methyl carbon and deuterium on the methyl group. This compound is essential as a high-purity internal standard and tracer in quantitative mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy, providing unmatched accuracy for metabolic and pharmacokinetic studies. It is primarily utilized by research scientists and quality control laboratories in the pharmaceutical, agrochemical, and analytical chemistry industries where precise quantification and pathway elucidation are critical.

Application

• Quantitative Mass Spectrometry (MS): Serves as a critical internal standard for the accurate quantification of acetonitrile and related compounds in complex biological and environmental matrices.
• Metabolomics & Pharmacokinetics: Used as a stable isotope tracer to study drug metabolism, biochemical pathways, and absorption, distribution, metabolism, and excretion (ADME) profiles.
• Nuclear Magnetic Resonance (NMR) Spectroscopy: Acts as a chemical shift reference and a probe for mechanistic studies in organic and organometallic chemistry due to its distinct isotopic signature.
• Pharmaceutical Impurity Profiling: Employed in the development and validation of analytical methods to identify and quantify process-related impurities and degradants.
• Environmental Analysis: Facilitates the precise tracking and measurement of acetonitrile and its derivatives in environmental fate studies.
• Certified Reference Material (CRM): Used in the preparation of high-grade CRMs for instrument calibration and method validation to ensure regulatory compliance.

Basic Information

Product Name	Acetonitrile-2-13C-2,2,2-D3
CAS No.	62663-01-8
Molecular Formula	13CCD3N or C13CHD3N
Molecular Weight	45.07 g/mol
Synonyms	Acetonitrile-2-13C-d3; Deuterated Acetonitrile-2-13C; (2-13C,2,2,2-D3)Acetonitrile; Methyl-13C,d3 cyanide; CD3-13CCN; Acetonitrile (13C,D3); Acetonitrile-13C,D3; Isotopically Labeled Acetonitrile
EINECS	Contact for details

Quality Control

Every batch of Acetonitrile-2-13C-2,2,2-D3 is manufactured and analyzed under strict quality management systems. We guarantee high chemical, isotopic, and optical purity, with comprehensive testing via NMR, GC-MS, and HPLC. Certificates of Analysis (COA) are provided with each shipment, detailing batch-specific results for isotopic enrichment, chemical purity, and solvent residues, ensuring traceability and compliance with research-grade standards.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated area. Due to its highly volatile nature, keep away from heat, sparks, and open flames.

Specification

Item	Specification
Appearance	Colorless clear liquid
Identification (IR)	Conforms to structure
Isotopic Enrichment	≥ 99 atom % 13C; ≥ 99 atom % D
Assay (GC)	≥ 99.5% (chemical purity)
Water Content (KF)	≤ 0.05%
NMR Solvent Compatibility	Passes test

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