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Trinitroacetonitrile

Base Information
  • Chemical Name:Trinitroacetonitrile
  • CAS No.:630-72-8
  • Molecular Formula:C2N4O6
  • Molecular Weight:176.045
  • Hs Code.:
  • DSSTox Substance ID:DTXSID70212214
  • Nikkaji Number:J74.822F
  • Wikidata:Q83087261
  • Mol file:630-72-8.mol
Trinitroacetonitrile

Synonyms:TRINITROACETONITRILE;630-72-8;Trinitroacetonitrile [Forbidden];Acetonitrile, trinitro-;SCHEMBL4361283;DTXSID70212214

Suppliers and Price of Trinitroacetonitrile
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
Total 6 raw suppliers
Chemical Property of Trinitroacetonitrile
Chemical Property:
  • Vapor Pressure:3.46mmHg at 25°C 
  • Melting Point:41.5°C 
  • Refractive Index:1.5400 (estimate) 
  • Boiling Point:152.6°Cat760mmHg 
  • Flash Point:46.1°C 
  • PSA:161.25000 
  • Density:1.886g/cm3 
  • LogP:0.56348 
  • XLogP3:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Rotatable Bond Count:0
  • Exact Mass:175.98178373
  • Heavy Atom Count:12
  • Complexity:245
Purity/Quality:

99% *data from raw suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C(#N)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Technology Process of Trinitroacetonitrile

There total 6 articles about Trinitroacetonitrile 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:
Guidance literature:
cyanoacetic acid amide; With nitric acid; In tetrachloromethane; at 0 ℃; Inert atmosphere;
With oleum, fuming sulfuric acid, 20% SO3; In tetrachloromethane; at -20 - 20 ℃; Inert atmosphere;
DOI:10.1021/ic400919n
Guidance literature:
acetylcyanamide; nitric acid; In dichloromethane; at 0 ℃; for 0.0333333h; Inert atmosphere;
With sulfuric acid; sulfur trioxide; In dichloromethane; at 25 ℃; for 8 - 10h; Inert atmosphere;
DOI:10.1039/c5dt00291e
Guidance literature:
With sulfuric acid; nitric acid;
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