630-70-6

Usage

Uses

Used in Organic Synthesis:
Iodotrinitromethane is used as a reagent in organic synthesis for the preparation of various organic nitrates. Its high reactivity allows for the formation of a wide range of compounds, making it a valuable tool in the synthesis of complex organic molecules.
Used in Pharmaceutical Production:
Iodotrinitromethane serves as a precursor in the production of certain pharmaceuticals. Its unique properties enable the synthesis of specific drug molecules that may have therapeutic applications. However, its use in this industry is limited due to the presence of potentially harmful chemicals in its production and handling.
Overall, iodotrinitromethane is a highly reactive compound with a variety of uses in organic synthesis and pharmaceutical production. However, its potential dangers necessitate careful handling and management to ensure safety and minimize risks.

InChI:InChI=1/CIN3O6/c2-1(3(6)7,4(8)9)5(10)11

Upstream product

• 60-29-7 diethyl ether 
• 7553-56-2 iodine 
• 12281-53-7 silver nitroformate monohydrate 
• 14268-23-6 potassium trinitromethanide 

Downstream Products

• 40527-64-8 3-Iod-1,1,1-trinitro-2-phenylpropan 
• 918-54-7 2,2,2-trinitroethanol 
• 13125-89-8 2-(2-iodo-cyclohexyloxy)-3,3-dinitro-octahydro-benzo[d]isoxazole 
• 40527-65-9 3-Iod-2-methyl-1,1,1-trinitro-2-phenylpropan 
• 517-25-9 trinitromethane 
• 509-14-8 tetranitromethane 
• 7553-56-2 iodine 
• 7758-05-6 potassium iodate 
• 14268-23-6 potassium trinitromethanide 
• 7681-11-0 potassium iodide 
• 15795-74-1 1,1-diphenyl-2,2-dinitroethylene 
• 70570-04-6 dinitroformaldehyde N-methyl-N-phenylhydrazone 
• 33512-46-8 1,1,1-Trinitro-2-benzoyl-2-iod-2-phenylethan 
• 40527-67-1 3-Iod-2-p-methoxyphenyl-1,1,1-trinitropropan 

Relevant academic research and scientific papers

Halogenotrinitromethanes: A combined study in the crystalline and gaseous phase and using quantum chemical methods

The halogenotrinitromethanes FC(NO2)3 (1), BrC(NO2)3 (2), and IC(NO2)3 (3) were synthesized and fully characterized. The molecular structures of 1-3 were determined in the crystalline state by X-ray diffraction, and gas-phase structures of 1 and 2 were determined by electron diffraction. The Hal-C bond lengths in F-, Cl-, and Br-C(NO2)3 in the crystalline state are similar to those in the gas phase. The obtained experimental data are interpreted in terms of Natural Bond Orbitals (NBO), Atoms in Molecules (AIM), and Interacting Quantum Atoms (IQA) theories. All halogenotrinitromethanes show various intra- and intermolecular non-bonded interactions. Intramolecular NO and HalO (Hal=F (1), Br (2), I (3)) interactions, both competitors in terms of the orientation of the nitro groups by rotation about the C-N bonds, lead to a propeller-type twisting of these groups favoring the mentioned interactions. The origin of the unusually short Hal-C bonds is discussed in detail. The results of this study are compared to the molecular structure of ClC(NO2)3 and the respective interactions therein.