4-Nitro-5,6,7,8-tetrahydroquinoline 1-oxide

Base Information

• Chemical Name: 4-Nitro-5,6,7,8-tetrahydroquinoline 1-oxide
• CAS No.: 125162-98-3
• Molecular Formula: C₉H₁₀N₂O₃
• Molecular Weight: 194.19
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID40564535
• Wikidata: Q82449255
• Mol file: 125162-98-3.mol

Synonyms:125162-98-3;4-Nitro-5,6,7,8-tetrahydroquinoline 1-oxide;4-nitro-5,6,7,8-tetrahydroquinolin-1-ium-1-olate;4-nitro-1-oxido-5,6,7,8-tetrahydroquinolin-1-ium;5,6,7,8-tetrahydro-4-nitroquinoline N-oxide;Quinoline, 5,6,7,8-tetrahydro-4-nitro-, 1-oxide;SCHEMBL9449722;DTXSID40564535;SWSDHCGZLPFBHU-UHFFFAOYSA-N;BS-53032;CS-0308634;4-Nitro-5,6,7,8-tetrahydroquinoline1-oxide;4-nitro-5,6,7,8-tetrahydroquinoline-N-oxide;E84031;EN300-126165;4-Nitro-1-oxo-5,6,7,8-tetrahydro-1lambda~5~-quinoline

Chemical Property of 4-Nitro-5,6,7,8-tetrahydroquinoline 1-oxide

Chemical Property:

• Boiling Point: 446.5±45.0 °C(Predicted)
• PKA: -1.03±0.20(Predicted)
• PSA: 71.28000
• Density: 1.45±0.1 g/cm3(Predicted)
• LogP: 2.42530
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 194.06914219
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

98%min ^*data from raw suppliers

4-NITRO-5,6,7,8-TETRAHYDROQUINOLIN-1-IUM-1-OLATE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=[N+](C=CC(=C2C1)[N+](=O)[O-])[O-]

Technology Process of 4-Nitro-5,6,7,8-tetrahydroquinoline 1-oxide

There total 1 articles about 4-Nitro-5,6,7,8-tetrahydroquinoline 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: 27.0%

5,6,7,8-tetrahydroquinoline N-oxide (14631-48-2) → 4-Nitro-5,6,7,8-tetrahydroquinoline N-oxide (125162-98-3)

Guidance literature:

With sulfuric acid; nitric acid; at 70 ℃; for 2h;

DOI:10.1248/cpb.37.1517

upstream raw materials:

5,6,7,8-tetrahydroquinoline N-oxide