[2H5]-TNT

What is [2H5]-TNT

**[2H5]-TNT (Deuterated Trinitrotoluene)** [2H5]-TNT is a deuterium-labeled isotopologue of trinitrotoluene (TNT), where five hydrogen atoms are replaced with deuterium (D) at the 2, 4, and 6 positions of the aromatic ring. This stable isotope-labeled compound is widely used as an internal standard in mass spectrometry (MS) and nuclear magnetic resonance (NMR) studies, ensuring high precision in explosive residue analysis, environmental monitoring, and forensic investigations. Its chemical stability and distinct isotopic signature make it invaluable for quantitative analysis, reducing matrix effects and improving detection limits. [2H5]-TNT is essential for research in explosives chemistry, environmental toxicology, and security applications, offering reliability and accuracy in trace-level detection. (Word count: ~100)

Preparation Process: The preparation of [2H5]-TNT (deuterated trinitrotoluene) involves the following steps: 1. **Deuterated Toluene Synthesis**: Start with toluene and perform catalytic exchange with D2O using Pt or Pd catalysts to yield [2H5]-toluene (C6D5-CH3). 2. **Nitration**: Nitrate [2H5]-toluene using a mixture of concentrated HNO3 and H2SO4 under controlled conditions (0–5°C) to form mononitro derivatives. 3. **Further Nitration**: Repeat nitration at higher temperatures (30–50°C) to introduce two additional nitro groups, yielding [2H5]-TNT (C6D2(NO2)3-CH3). 4. **Purification**: Recrystallize the product from ethanol or acetone to obtain pure [2H5]-TNT. Deuterium incorporation is verified by NMR or mass spectrometry.

Usage Scenarios: [2H5]-TNT (deuterated trinitrotoluene) is primarily used as an internal standard in mass spectrometry for the precise quantification of TNT and related explosives in environmental and forensic analyses. Its deuterated structure minimizes interference with native TNT, ensuring accurate detection in complex matrices like soil, water, and biological samples. It aids in tracing TNT degradation pathways, studying environmental persistence, and validating analytical methods. Additionally, [2H5]-TNT supports research on explosive contamination, remediation efforts, and military or industrial safety assessments. Its stability and isotopic labeling make it invaluable for high-sensitivity techniques such as GC-MS or LC-MS.

[2H5]-TNT Basic Info

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