CAS No. 13031-32-8
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Nitromethane-d3 is used in various scientific and analytical applications:
● Nitromethane-d3 is a standard purity solvent for NMR analyses.
● Nitromethane-d3 can be used in the study of decomposition mechanisms of nitromethane.
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● Nitromethane-d3 can be used in various IR and Raman spectroscopical studies.
● β‐Deuterated β‐Nitroalcohols can be produced via the nitroaldol reaction using Nitromethane-d3.
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Nitromethane-d3 is a deuterated derivative of nitromethane. Its pyrolytic decomposition in the absence and presence of nitrogen dioxide have been studied. Molecular structure studies suggest that its molecule is composed of a highly asymetrical top consisting of a heavy planar frame of NO2 (C2v symmetry) and a lighter top of CD3 (C3v symmetry). Rotational constants, high-resolution Fourier transform infrared (FTIR) spectrum and DFT (Density Functional Theory) calculations of nitromethane-d3 have been evaluated. Various physicochemical properties (densities, viscosities, speed of sound and refractive indices) of CD3NO2 have been evaluated in the temperature range of 293K to 308K.
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