2-Chloroethylamine-d4 HCl | CAS 870-24-6

OVERVIEW
2-Chloroethylamine-d₄ hydrochloride is a stable isotope-labeled analog of 2-chloroethylamine hydrochloride, in which four hydrogen atoms are replaced by deuterium. This substitution results in a +4 Da increase in molecular weight while maintaining the same chemical structure and reactivity as its non-deuterated counterpart. The compound serves as a crucial intermediate and labeling reagent in the synthesis of deuterium-enriched pharmaceuticals, biochemical probes, and analytical standards.

Its deuterium enrichment provides enhanced stability against metabolic degradation and allows for precise tracing in pharmacokinetic and mechanistic studies. Due to its reactivity as an alkylating agent, 2-chloroethylamine-d₄ HCl is commonly utilized in the preparation of deuterated ethyleneamines and nitrogen-containing heterocycles.

CHEMICAL INFORMATION

• Name: 2-Chloroethylamine-d₄ hydrochloride

• Molecular Formula: C₂H₂D₄Cl₂N

• Molecular Weight: 120.01 g/mol

• CAS Number: 870-24-6

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated haloalkylamine; stable isotope-labeled compound

• Stability: Chemically stable under normal laboratory conditions; may slowly hydrolyze under strong basic conditions

APPLICATIONS  of  2-Chloroethylamine-d4 HCl | CAS 870-24-6

• Precursor in Deuterated Compound Synthesis:
  2-Chloroethylamine-d₄ HCl is an essential reagent in the synthesis of deuterium-labeled analogs of pharmacologically active amines, amino acids, and nitrogen-containing intermediates.

• Isotopic Tracer Studies:
  Utilized in metabolic and kinetic investigations to trace the fate of chloroethylamine moieties in biochemical systems, enabling precise determination of reaction pathways and intermediates.

• Analytical Chemistry & Mass Spectrometry (MS):
  Serves as a reliable internal standard and isotopic reference compound in MS-based analytical methods. Its +4 Da isotopic shift provides clear differentiation from non-deuterated analogs, ensuring accurate quantification.

• Pharmaceutical & Medicinal Research:
  Used for synthesizing labeled drug precursors, metabolites, and intermediates to study drug metabolism, bioavailability, and enzymatic transformation in vivo and in vitro.

• NMR and Spectroscopic Studies:
  Offers distinct deuterium labeling useful for investigating reaction mechanisms, isotope effects, and structural confirmation through NMR spectroscopy.

ADVANTAGES  of  2-Chloroethylamine-d4 HCl | CAS 870-24-6

• High isotopic enrichment ensures consistent labeling and analytical precision.

• Maintains identical chemical properties to its non-deuterated analog, allowing for direct use in synthetic and mechanistic studies.

• Provides improved metabolic stability in pharmaceutical and biochemical systems.

• Non-radioactive and environmentally safe isotope labeling material.

• Ideal for research in isotopic chemistry, spectroscopy, and deuterated drug synthesis.

HANDLING

• Hazards: Corrosive and irritant; may cause burns to skin, eyes, and mucous membranes upon contact. Harmful if inhaled or ingested.

• Precautions: Handle with care under an inert atmosphere if possible. Use gloves, protective eyewear, and lab coat. Avoid inhalation of vapors and direct contact.

• Storage: Keep in a tightly closed container under dry, cool conditions. Protect from moisture and heat sources.

• Disposal: Dispose of material according to local environmental and safety regulations. Avoid release into the environment.

Safety Note: Though non-flammable, the compound should be handled carefully due to its corrosive and irritant nature, especially in contact with water or strong bases.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Water Content: ≤ 0.05 %

• Analytical Characterization: Verified by ¹H NMR, ²H NMR, IR spectroscopy, and LC-MS

• Appearance: White crystalline or powdery solid

• COA Availability: Supplied with batch-specific Certificate of Analysis confirming isotopic and chemical purity

SUMMARY
2-Chloroethylamine-d₄ hydrochloride (CAS 870-24-6) is a highly pure, stable isotope-labeled reagent widely used in isotopic labeling chemistry, tracer studies, and analytical method development. Its deuterium substitution provides superior isotopic stability and analytical resolution, making it an indispensable reagent for modern research in pharmaceutical, biochemical, and organic synthesis applications. This compound is particularly valued for its versatility as an alkylating and amine-introducing reagent in deuterated compound production and mechanistic investigations.