13031-32-8 Usage
Description
Nitromethane-d3, a deuterated derivative of nitromethane, is a colorless liquid with unique molecular structure. Its molecule consists of a highly asymmetrical top made up of a heavy planar frame of NO2 (C2v symmetry) and a lighter top of CD3 (C3v symmetry). The compound has been studied for its pyrolytic decomposition in the absence and presence of nitrogen dioxide, and its various physicochemical properties, such as densities, viscosities, speed of sound, and refractive indices, have been evaluated in the temperature range of 293K to 308K.
Uses
Used in Chemical Research:
Nitromethane-d3 is used as a research compound for studying its molecular structure, pyrolytic decomposition, and various physicochemical properties. The compound's unique structure and properties make it a valuable tool for understanding the behavior of deuterated compounds and their interactions with other molecules.
Used in Analytical Chemistry:
Nitromethane-d3 serves as a valuable reference material in analytical chemistry, particularly in high-resolution Fourier transform infrared (FTIR) spectroscopy and Density Functional Theory (DFT) calculations. Its well-defined molecular structure and properties allow for accurate measurements and comparisons in various analytical techniques.
Used in Environmental Studies:
Nitromethane-d3 can be employed as a tracer compound in environmental studies, helping researchers to track and understand the behavior of nitromethane and its deuterated derivatives in the environment. This can provide insights into the fate and transport of these compounds, as well as their potential impacts on ecosystems and human health.
Used in Industrial Applications:
Nitromethane-d3 may find applications in various industrial processes, where its unique properties can be utilized for specific purposes. For example, its asymmetrical molecular structure and deuterated nature could be beneficial in the development of new materials, catalysts, or chemical processes that require the use of deuterated compounds.
Check Digit Verification of cas no
The CAS Registry Mumber 13031-32-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,0,3 and 1 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 13031-32:
(7*1)+(6*3)+(5*0)+(4*3)+(3*1)+(2*3)+(1*2)=48
48 % 10 = 8
So 13031-32-8 is a valid CAS Registry Number.
InChI:InChI=1/CH3NO2/c1-2(3)4/h1H3/i1D3
13031-32-8Relevant articles and documents
ISOMERIZATIONS OF THE NITROMETHANE RADICAL CATION IN THE GAS PHASE.
Egsgaard,Carlsen,Elbel
, p. 369 - 374 (1986)
The concurrent isomerizations of the nitromethane radical cation to its aci-nitromethane and methylnitrite isomers, respectively, has been established based on metastable ion studies and collision activation mass spectrometry. The energy diagram for the ionized nitromethane/aci-nitromethane tautomeric system has been determined; the aci-nitromethane tautomer was found to be the more stable species by ca. 0. 95 eV. Attempts to generate the neutral gaseous aci-nitromethane tautomer by low pressure pyrolysis are summarized.
Organocatalytic Nitroaldol Reaction Associated with Deuterium-Labeling
Yamada, Tsuyoshi,Kuwata, Marina,Takakura, Ryoya,Monguchi, Yasunari,Sajiki, Hironao,Sawama, Yoshinari
supporting information, p. 637 - 641 (2017/12/13)
A deuterium-labeling reaction of nitroalkanes in deuterium oxide and the subsequent nitroaldol reaction have been accomplished under basic and organocatalytic conditions to provide the deuterium-labeled β-nitroalcohols in high yields and high deuterium contents. β-Deuterated β-nitroalcohols could be smoothly obtained from the reaction of nitroalkanes and various electrophiles using the easily-removal basic resin WA30. Furthermore, the asymmetric nitroaldol reaction using nitromethane and α-keto esters as electrophiles in the presence of a quinine-derived organocatalyst in deuterium oxide could provide the desired β-deuterated nitroalcohol derivatives with high enantioselectivities. (Figure presented.).
PREPARATION METHODS OF METHYL-D3-AMINE AND SALTS THEREOF
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Paragraph 0057; 0058, (2013/03/26)
Preparation methods of methyl-d3-amine and salts thereof are provided, which contain the following steps: (i) nitromethane is subjected to react with deuterium oxide in the present of bases and phase-transfer catalysts to form nitromethane-d3, which is subsequently subjected to reduction in an inert solvent to form methyl-d3-amine, and optionally, methyl-d3-amine reacts subsequently with acids to form salts of methyl-d3-amine; or (ii) N-(1,1,1-trideuteriomethyl)phthalimide is subjected to react with acids to form salts of methyl-d3-amine. The present methods are easy, high efficient, and low cost.
