630-70-6

Basic information

• Product Name: iodotrinitromethane
• Synonyms: iodotrinitromethane
• CAS NO: 630-70-6
• Molecular Formula: CIN₃O₆
• Molecular Weight: 276.93167
• EINECS: 211-143-5
• Mol File: 630-70-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 144.8°C at 760 mmHg
• Flash Point: 41.3°C
• Appearance: /
• Density: 2.708g/cm³
• Vapor Pressure: 5.02mmHg at 25°C
• Refractive Index: 1.658
• CAS DataBase Reference: iodotrinitromethane(CAS DataBase Reference)
• NIST Chemistry Reference: iodotrinitromethane(630-70-6)
• EPA Substance Registry System: iodotrinitromethane(630-70-6)

Safety Data

• Hazardous Substances Data: 630-70-6(Hazardous Substances Data)

Usage

General Description

Iodotrinitromethane, also known as nitroiodomethane, is an organic compound with the chemical formula CHI3NO2. It is a yellow, crystalline solid that is highly explosive and toxic. Iodotrinitromethane is primarily used as a reagent in organic synthesis, particularly in the preparation of various organic nitrates. It is also used as a precursor in the production of certain pharmaceuticals. However, its use is limited due to its hazardous nature and the presence of potentially harmful chemicals in its production and handling.Overall, iodotrinitromethane is a highly reactive compound with a variety of uses, but its potential dangers require careful handling and management.

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 
• 15795-74-1 1,1-diphenyl-2,2-dinitroethylene 
• 517-25-9 trinitromethane 
• 7553-56-2 iodine 
• 509-14-8 tetranitromethane 
• 7758-05-6 potassium iodate 
• 14268-23-6 potassium trinitromethanide 
• 7681-11-0 potassium iodide 
• 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 articles and documents

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.