Epichlorohydrine-d5 | CAS 69533-54-6

OVERVIEW  of  Epichlorohydrine-d5 | CAS 69533-54-6

Epichlorohydrin-d₅ (CAS 69533-54-6) is a fully deuterated analog of epichlorohydrin, a versatile and reactive organochlorine compound used as an important intermediate in organic synthesis and polymer chemistry. In this isotopically labeled version, five hydrogen atoms in the parent molecule are replaced by deuterium, resulting in a molecular weight shift of +5 Da, which makes it ideal for mass spectrometry (MS) applications.

The compound retains all the key chemical properties of native epichlorohydrin — including its epoxide and chloromethyl functional groups — enabling it to undergo the same nucleophilic substitution and ring-opening reactions. Epichlorohydrin-d₅ is primarily used as a stable isotope-labeled internal standard for quantitative analysis, reaction tracing, and mechanistic studies.

CHEMICAL INFORMATION

• Name: Epichlorohydrin-d₅

• Molecular Formula: C₃D₅ClO

• Molecular Weight: 97.55 g/mol

• CAS Number: 69533-54-6

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated haloepoxide; isotope-labeled organic intermediate

• Solubility: Miscible with common organic solvents such as ethanol, ether, and chloroform

APPLICATIONS  of  Epichlorohydrine-d5 | CAS 69533-54-6

• Mass Spectrometry (MS) and Analytical Chemistry:
  Used as an internal standard for GC-MS and LC-MS analyses to accurately quantify epichlorohydrin and related compounds in environmental, industrial, and biological samples.

• Reaction Mechanism and Kinetic Studies:
  Utilized to trace reaction pathways and study epoxide ring-opening or substitution mechanisms involving chlorinated intermediates.

• Polymer and Resin Chemistry:
  Acts as a labeled precursor for the synthesis of deuterated glycidyl ethers, epoxy resins, and other polymeric materials, useful in structural or degradation analysis.

• Environmental and Toxicological Research:
  Employed in exposure monitoring and metabolism studies to differentiate endogenous and exogenous sources of chlorinated compounds.

• Isotopic Labeling Research:
  Serves as a reference molecule in isotopic tracer experiments and quality assurance studies in analytical laboratories.

ADVANTAGES  of  Epichlorohydrine-d5 | CAS 69533-54-6

• Provides a clear mass spectral distinction (+5 Da) from non-deuterated epichlorohydrin.

• Maintains identical physical and chemical behavior to the native compound, ensuring method consistency and accuracy.

• Stable, non-radioactive isotopic label suitable for long-term analytical use.

• Enhances quantitative precision and reproducibility in chromatographic and mass spectrometric assays.

• Useful in both industrial process monitoring and academic mechanistic investigations.

HANDLING, STORAGE & SAFETY

• Handling: Use only in well-ventilated areas or under fume hoods; avoid direct contact and inhalation.

• Storage: Keep container tightly closed and stored in a cool, dry place away from heat, light, and incompatible substances (acids, strong bases, and oxidizers).

• Safety: Although stable, epichlorohydrin derivatives can be irritating and sensitizing; proper PPE such as gloves, goggles, and lab coats should be used.

• Disposal: Dispose of according to institutional and environmental safety regulations for halogenated organic compounds.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Form: Liquid

• Analytical Verification: Characterized by NMR (¹H, ²H, ¹³C) and GC-MS

• Documentation: Supplied with Certificate of Analysis (CoA) confirming isotopic enrichment and chemical purity

SUMMARY
Epichlorohydrin-d₅ (CAS 69533-54-6) is a high-purity, fully deuterated analog of epichlorohydrin, widely used in quantitative mass spectrometry, isotopic labeling, and mechanistic organic chemistry. Its stability, chemical equivalence to the native compound, and distinct isotopic signature make it a valuable standard for metabolic, environmental, and synthetic applications. This compound is indispensable for researchers requiring precision and reliability in isotopically labeled analytical systems.