Tri(2-chloroethyl) Phosphate-d12 | CAS 1276500-47-0

OVERVIEW
Tri(2-chloroethyl) Phosphate-d₁₂ is a fully deuterated organophosphorus compound in which all hydrogen atoms in the 2-chloroethyl groups are replaced with deuterium. This isotopic substitution increases the molecular weight and provides a distinct isotopic signature while retaining the chemical and physical characteristics of its non-deuterated counterpart, tri(2-chloroethyl) phosphate (TCEP). The compound is primarily used as an internal standard or isotopic tracer in analytical chemistry, environmental monitoring, and toxicological research.

As a deuterium-labelled analog of TCEP, Tri(2-chloroethyl) Phosphate-d₁₂ is valuable for studying flame retardant residues, chemical degradation pathways, and contaminant transport mechanisms in environmental matrices. It also finds application in GC-MS and LC-MS analytical workflows, where isotopic labelling allows accurate quantification and identification of TCEP and related phosphate esters.

---

CHEMICAL INFORMATION

• Name: Tri(2-chloroethyl) Phosphate-d₁₂

• Molecular Formula: C₆D₁₂Cl₆O₄P

• Molecular Weight:  297.55 g/mol

• CAS Number: 1276500-47-0

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated phosphate ester; organophosphorus compound

• Stability: Chemically stable under ambient conditions; hydrolytically stable in neutral to slightly acidic media

---

APPLICATIONS  of  Tri(2-chloroethyl) Phosphate-d12 | CAS 1276500-47-0

• Analytical Chemistry and Mass Spectrometry:
  Tri(2-chloroethyl) Phosphate-d₁₂ serves as an internal standard for the quantification of tri(2-chloroethyl) phosphate (TCEP) in various matrices including air, soil, dust, and biological samples. Its +12 Da isotopic mass shift enables accurate differentiation between labelled and unlabelled species, providing high-precision measurements in GC-MS and LC-MS/MS analyses.

• Environmental and Toxicological Studies:
  Used as a tracer compound to investigate environmental fate, bioaccumulation, and degradation kinetics of organophosphorus flame retardants. It helps researchers understand TCEP’s persistence and potential toxicological impact in ecosystems and human exposure pathways.

• Quality Control and Calibration Standard:
  Deuterated standards like TCEP-d₁₂ are employed in analytical laboratories to ensure data reproducibility and calibration accuracy when testing for flame retardant residues and related contaminants.

• Stable Isotope Tracing and Reaction Mechanism Studies:
  Utilized in mechanistic studies to explore phosphate ester hydrolysis, oxidation, and degradation processes by monitoring isotopic substitution patterns during reactions.

• Forensic and Industrial Analysis:
  Supports forensic detection and quantification of phosphorus-based compounds in industrial formulations, coatings, and flame retardant additives.

---

ADVANTAGES  of Tri(2-chloroethyl) Phosphate-d12 | CAS 1276500-47-0

• High isotopic enrichment ensures clear mass spectral distinction (+12 Da) for quantitative accuracy.

• Chemically identical to native TCEP, allowing direct comparative analysis in environmental and toxicological applications.

• Excellent thermal and hydrolytic stability supports use in complex analytical procedures.

• Enhances reproducibility in LC-MS and GC-MS calibration.

• Non-radioactive, safe, and environmentally stable isotopic tracer.

---

HANDLING
Tri(2-chloroethyl) Phosphate-d₁₂ should be handled with standard laboratory precautions.

• Hazards: Harmful if swallowed or inhaled; may cause skin or eye irritation upon contact. Avoid prolonged exposure.

• Precautions: Handle in a well-ventilated environment. Wear protective gloves, goggles, and lab coats.

• Storage: Keep in airtight containers, protected from heat, light, and moisture.

• Spill Response: Absorb with inert material such as sand or vermiculite and dispose of according to local hazardous waste regulations.

Safety Note: Although deuterated, the compound exhibits similar toxicological characteristics to the non-deuterated TCEP and should therefore be treated with the same safety measures.

---

QUALITY & SPECIFICATION
Each batch of Tri(2-chloroethyl) Phosphate-d₁₂ is subjected to strict analytical testing to verify purity, isotopic content, and structural integrity.

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Water Content: ≤ 0.05 %

• Analytical Verification: Confirmed using NMR (¹H, ²H, ³¹P), FTIR, and HRMS

• Appearance: Clear or faintly yellow liquid, free from visible impurities

• COA Provided: Certificate of Analysis confirming isotopic enrichment, purity, and identity available for each lot

---

SUMMARY
Tri(2-chloroethyl) Phosphate-d₁₂ (CAS 1276500-47-0) is a highly deuterated analog of tri(2-chloroethyl) phosphate, used extensively as an internal standard and isotopic tracer in environmental, analytical, and toxicological research. With its superior isotopic enrichment, stability, and compatibility with modern analytical techniques, it supports accurate quantification and trace-level detection of organophosphorus flame retardants. This compound is a critical reference standard in studies related to environmental safety, pollutant tracking, and chemical mechanism elucidation.

 

Learn more about,

Deuterated Polymers: A Cornerstone Guide to Synthesis, Applications, and Future Trends

Availability of All the Deuterated Chemicals at ResolveMass Laboratories Inc. 

ResolveMass Laboratories: Leading Deuterated Chemical Synthesis Company in the United States. 

Deuterated Internal Standards for LC-MS: Selection & Custom Synthesis 

How to Choose the Right Deuterated Labelled Chemical Synthesis Company in Canada 

How to Choose the Right Deuterium Labelled Compounds Supplier for Your Lab 

Deuterium-Labelled Compounds — Synthesis, Applications & Ordering