Description

(±)-2-Chloropropionyl--D4 Chloride is a deuterated isotopologue of 2-chloropropionyl chloride, where four hydrogen atoms are replaced by deuterium, serving as a critical stable isotope-labeled building block. This compound is essential for advanced research and development, enabling precise metabolic, pharmacokinetic, and mechanistic studies through mass spectrometry and NMR analysis. It is primarily utilized by pharmaceutical R&D laboratories, agrochemical innovators, and academic institutions focused on tracer studies and the synthesis of labeled compounds.

Application

• Pharmaceutical Research: As a key deuterated intermediate in the synthesis of isotopically labeled active pharmaceutical ingredients (APIs) for drug metabolism and pharmacokinetics (DMPK) studies.
• Metabolic Tracer Studies: Used to trace biochemical pathways and elucidate metabolic mechanisms without interference from endogenous compounds.
• Analytical Standard Development: Serves as a certified reference material (CRM) or internal standard for quantitative LC-MS and GC-MS analysis in bioanalytical laboratories.
• Agrochemical Development: Employed in the synthesis of deuterated pesticide or herbicide analogs to study environmental fate, degradation, and residue analysis.
• Organic Synthesis: Functions as a versatile acylating agent for introducing the 2-chloropropionyl moiety in complex molecule synthesis, with the deuterium label providing a spectroscopic handle.
• Material Science Research: Potential use in the synthesis of labeled polymers or specialty chemicals where tracking molecular incorporation or stability is required.

Basic Information

Product Name	(±)-2-Chloropropionyl--D4 Chloride
CAS No.	1219794-98-5
Molecular Formula	C3D4Cl2O
Molecular Weight	130.99 g/mol (for D4 isotopologue)
Synonyms	2-Chloropropanoyl-d4 chloride; 2-Chloropropionyl-d4 chloride; DL-2-Chloropropionyl-d4 chloride; α-Chloropropionyl-d4 chloride; Propionyl-d4 chloride, 2-chloro-; Deuterated 2-chloropropionyl chloride; [2H4]-2-Chloropropionyl chloride; Isotopic variant of 2-chloropropionyl chloride
EINECS	Contact for details

Quality Control

Every batch of (±)-2-Chloropropionyl--D4 Chloride is produced and analyzed under strict quality management protocols to ensure high isotopic and chemical purity for research applications. Our quality assurance includes comprehensive analysis by NMR (¹H, ²H, ¹³C), mass spectrometry, and chromatographic methods to confirm deuterium incorporation and chemical identity. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting the assay, isotopic purity, chemical purity, and solvent residues.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly volatile and hygroscopic (moisture-sensitive) nature, this material should be stored under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry, and well-ventilated area. Recommended storage temperature is 2-8°C for long-term stability. Keep away from heat, sparks, open flames, and incompatible materials such as strong bases, alcohols, and amines.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (by GC or Titration)	≥ 95%
Isotopic Purity (Deuterium Content)	≥ 98 atom % D
Chemical Purity (by GC)	≥ 97%
Water Content (KF)	≤ 0.5%

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