Description

Acetyl Chloride-1-13C,D3 is a stable isotope-labeled derivative of acetyl chloride, specifically enriched with carbon-13 at the 1-position and deuterium (D) on the methyl group. This compound is an essential reagent for advanced analytical and synthetic chemistry, providing a non-radioactive tracer for precise metabolic, mechanistic, and pharmacokinetic studies. It is primarily used by researchers and process chemists in the pharmaceutical, agrochemical, and academic sectors who require high-fidelity isotopic labeling for mass spectrometry (MS) and nuclear magnetic resonance (NMR) applications.

Application

• Isotopic Tracer in Pharmaceutical Research: Used as a labeled precursor in the synthesis of 13C- and deuterium-labeled active pharmaceutical ingredients (APIs) for drug metabolism and pharmacokinetics (DMPK) studies.
• Mechanistic Probe for Reaction Pathways: Employed in organic synthesis to elucidate reaction mechanisms and kinetics via isotopic labeling, monitored by NMR or MS.
• Internal Standard for Quantitative Mass Spectrometry: Serves as a high-purity internal standard for the accurate quantification of acetylated compounds or related metabolites in complex biological matrices.
• Synthesis of Labeled Fine Chemicals: A key building block for producing isotopically labeled fragrances, agrochemical intermediates, and other specialty chemicals.
• NMR Spectroscopy Solvent & Reagent: Utilized in specialized NMR applications where deuterium and carbon-13 labeling is required to simplify spectra or track chemical transformations.

Basic Information

Product Name	Acetyl Chloride-1-13C,D3
CAS No.	285977-81-3
Molecular Formula	13CCl3D3O
Molecular Weight	84.49 g/mol
Synonyms	Acetic-1-13C-d3 chloride; [1-13C]Trideuteroacetyl chloride; (13C)Acetyl-d3 chloride; Acetyl-d3-1-13C chloride; Ethanoyl-1-13C-d3 chloride; Isotopic Acetyl Chloride; 13C,D3-Labeled Acetyl Chloride; CD3*13COCl
EINECS	Contact for details

Quality Control

Our Acetyl Chloride-1-13C,D3 is manufactured under controlled conditions to ensure exceptional isotopic and chemical purity, meeting the stringent requirements of research and regulatory applications. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (atom % 13C and D), chemical purity by NMR and GC, and impurity profiles. We adhere to cGMP principles for the production of labeled compounds intended for pharmaceutical research.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Due to its nature as a highly volatile and strong acid/organic solvent, keep away from heat, sparks, open flames, and incompatible materials such as water, alcohols, strong bases, and oxidizing agents. Use under an inert atmosphere (e.g., nitrogen or argon) in a fume hood to ensure safety and product integrity.

Specification

Item	Specification
Appearance	Clear, colorless liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Enrichment (13C)	≥ 99 atom % 13C
Isotopic Enrichment (D)	≥ 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.