1,3-Dinitrobenzene-d4, a deuterium-labeled compound, finds several important applications in the field of chemistry and research:
1. Nuclear Magnetic Resonance (NMR) Spectroscopy: One of the primary uses of 1,3-Dinitrobenzene-d4 is as a reference compound in NMR spectroscopy. Its deuterium-labeled hydrogen atoms provide distinct NMR signals, enabling precise calibration and structural analysis of other organic molecules. Researchers can use it as an internal standard to determine the chemical shifts and coupling constants in their NMR experiments.
2. Mass Spectrometry: Deuterium-labeled compounds like 1,3-Dinitrobenzene-d4 are crucial for mass spectrometry studies. They can be used as internal standards or calibration compounds to accurately determine the mass-to-charge ratios (m/z) of other molecules, aiding in the identification and quantification of unknown substances.
3. Isotope Labeling Studies: 1,3-Dinitrobenzene-d4 can be used in isotope labeling experiments to track the fate and transformation of specific hydrogen atoms within a molecule during chemical reactions. This is particularly valuable in mechanistic studies and understanding reaction pathways.
4. Chemical Synthesis: Deuterium-labeled compounds like 1,3-Dinitrobenzene-d4 can be used as reagents or substrates in chemical synthesis. They allow researchers to introduce deuterium atoms into target molecules, which can lead to the production of new compounds with unique properties or improved stability.
5. Pharmacokinetic Studies: In pharmaceutical research, deuterium-labeled compounds are used to create drug candidates with altered metabolic profiles. This can enhance the bioavailability and duration of action of drugs, leading to potentially improved therapeutic outcomes.
6. Environmental Analysis: Deuterium-labeled compounds can be employed in environmental studies to trace the fate and transport of pollutants and contaminants in various ecosystems. This is crucial for understanding environmental impact and developing mitigation strategies.
7. Chemical Education: 1,3-Dinitrobenzene-d4 is often used as a teaching tool in chemistry courses to illustrate concepts related to isotopes, NMR spectroscopy, and the role of deuterium labeling in research.
Overall, 1,3-Dinitrobenzene-d4's versatility and unique isotopic composition make it an indispensable tool in a wide range of scientific disciplines, contributing to advancements in analytical chemistry, chemical research, and the understanding of molecular behavior.
Benzene-1,2,3,5-d4, 4,6-dinitro-
https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0054247051
1,3-Dinitro(~2~H_4_)benzene
https://comptox.epa.gov/dashboard/DTXSID50969234
CompTox Chemicals Dashboard Chemical Lists
https://comptox.epa.gov/dashboard/chemical-lists/
54247-05-1
https://echa.europa.eu/information-on-chemicals
54247-05-1
https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/227279
1,2,3,5-Tetradeuterio-4,6-dinitro-benzene
https://spectrabase.com/spectrum/LR08JCXxt0i
GHS Classification Tree
http://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
SID 470991645
https://pubchem.ncbi.nlm.nih.gov/substance/470991645
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