Iodotrinitromethane

Base Information

• Chemical Name: Iodotrinitromethane
• CAS No.: 630-70-6
• Molecular Formula: CI N3 O6
• Molecular Weight: 276.932
• European Community (EC) Number: 211-143-5
• DSSTox Substance ID: DTXSID50212212
• Nikkaji Number: J1.709D
• Wikidata: Q83087259
• Mol file: 630-70-6.mol

Synonyms:Iodotrinitromethane;METHANE, IODOTRINITRO-;630-70-6;BRN 1787174;EINECS 211-143-5;2-01-00-00047 (Beilstein Handbook Reference);iodo(trinitro)methane;CIN3O6;SCHEMBL9452625;C-I-N3-O6;DTXSID50212212;LS-90048

Chemical Property of Iodotrinitromethane

Chemical Property:

• Vapor Pressure: 5.02mmHg at 25°C
• Boiling Point: 144.8°C at 760 mmHg
• Flash Point: 41.3°C
• PSA: 137.46000
• Density: 2.708g/cm³
• LogP: 1.43240
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 276.88318
• Heavy Atom Count: 11
• Complexity: 171

Purity/Quality:

98%Min ^*data from raw suppliers

IODOTRINITROMETHANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])I

Technology Process of Iodotrinitromethane

There total 6 articles about Iodotrinitromethane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 20.0%

potassium trinitromethanide (14268-23-6) → trinitroiodomethane (630-70-6)

Guidance literature:

With Iodine monochloride; In tetrachloromethane; at 25 - 70 ℃; for 1h;

DOI:10.1002/chem.201402798

Reference yield:

→ trinitroiodomethane (630-70-6)

Guidance literature:

With diethyl ether; iodine;

Reference yield:

iodine (7553-56-2,12190-71-5,8031-47-8) + silver trinitromethanide → trinitroiodomethane (630-70-6) + silver(I) iodide

Guidance literature:

In diethyl ether; immediate reaction even at -75°C;; filtration; crystn.;;

upstream raw materials:

potassium trinitromethanide

diethyl ether

iodine

silver nitroformate monohydrate

Downstream raw materials:

trinitromethane

tetranitromethane

3-Iod-2-p-methoxyphenyl-1,1,1-trinitropropan

1,1,1-Trinitro-2-benzoyl-2-iod-2-phenylethan

Refernces