Quinoline, 4,6-dinitro-, 1-oxide

Base Information

• Chemical Name: Quinoline, 4,6-dinitro-, 1-oxide
• CAS No.: 1596-52-7
• Molecular Formula: C₉H₅N₃O₅
• Molecular Weight: 235.156
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID00166695
• Wikidata: Q83035916
• ChEMBL ID: CHEMBL3244950
• Mol file: 1596-52-7.mol

Synonyms:Quinoline, 4,6-dinitro-, 1-oxide;4,6-Dinitroquinoline 1-oxide;1596-52-7;4,6-dinitro-1-oxidoquinolin-1-ium;BRN 0255457;C9H5N3O5;CHEMBL3244950;DTXSID00166695;LS-141907

Chemical Property of Quinoline, 4,6-dinitro-, 1-oxide

Chemical Property:

• Vapor Pressure: 5.11E-09mmHg at 25°C
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 483°C at 760 mmHg
• Flash Point: 245.9°C
• PSA: 117.10000
• Density: 1.68g/cm³
• LogP: 3.13110
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 235.02292027
• Heavy Atom Count: 17
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=[N+](C=CC(=C2C=C1[N+](=O)[O-])[N+](=O)[O-])[O-]

Technology Process of Quinoline, 4,6-dinitro-, 1-oxide

There total 2 articles about Quinoline, 4,6-dinitro-, 1-oxide 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:

6-nitroquinoline-N-oxide (13675-92-8) → 4,6-Dinitro-chinolin-1-oxyd (1596-52-7)

Guidance literature:

With sulfuric acid; sulfur trioxide; potassium nitrate;

DOI:10.1021/jo01133a010

Reference yield:

6-nitroquinoline-N-oxide (13675-92-8) + sulfuric acid (7664-93-9) + sulfur trioxide (7446-11-9) → 4,6-Dinitro-chinolin-1-oxyd (1596-52-7)

Guidance literature:

DOI:10.1021/jo01133a010

Reference yield:

4,6-Dinitro-chinolin-1-oxyd (1596-52-7) → 4,5-Diamino-chinolin (40107-09-3)

Guidance literature:

With hydrogenchloride; palladium on activated charcoal; Hydrogenation;

upstream raw materials:

6-nitroquinoline-N-oxide

sulfuric acid

sulfur trioxide

Downstream raw materials:

4,5-Diamino-chinolin

2,4-dichloro-6-nitroquinoline