Quinoline, 6-chloro-4-nitro-, 1-oxide

Base Information

• Chemical Name: Quinoline, 6-chloro-4-nitro-, 1-oxide
• CAS No.: 3741-12-6
• Molecular Formula: C₉H₅ClN₂O₃
• Molecular Weight: 224.603
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID90190848
• ChEMBL ID: CHEMBL3244951
• Mol file: 3741-12-6.mol

Synonyms:6-Chloro-4-nitroquinoline 1-oxide;Quinoline, 6-chloro-4-nitro-, 1-oxide;CCRIS 871;CHEMBL3244951;DTXSID90190848;BRN 0199266;LS-141768

Chemical Property of Quinoline, 6-chloro-4-nitro-, 1-oxide

Chemical Property:

• Vapor Pressure: 7.42E-07mmHg at 25°C
• Melting Point: 194°C
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 419.4°Cat760mmHg
• Flash Point: 207.4°C
• PSA: 71.28000
• Density: 1.56g/cm³
• LogP: 3.35310
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 223.9988697
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

6-CHLORO-4-NITROQUINOLINE-1-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=[N+](C=CC(=C2C=C1Cl)[N+](=O)[O-])[O-]

Technology Process of Quinoline, 6-chloro-4-nitro-, 1-oxide

There total 3 articles about Quinoline, 6-chloro-4-nitro-, 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-chloroquinoline N-oxide (6563-10-6) → 6-Chlor-4-nitro-chinolin-1-oxid (3741-12-6)

Guidance literature:

With sulfuric acid; potassium nitrate;

Reference yield:

6-chloroquinoline N-oxide (6563-10-6) + sulfuric acid (7664-93-9) + nitric acid (7697-37-2,78989-43-2) → 6-Chlor-4-nitro-chinolin-1-oxid (3741-12-6) + 6-chloro-5-nitro-quinoline-1-oxide (569340-00-7)

Guidance literature:

Reference yield:

→ 6-Chlor-4-nitro-chinolin-1-oxid (3741-12-6)

Guidance literature:

6-Chlor-chinolin-1-oxyd, KNO3/85percent H2SO4 <60-80grad>; neben 5-Nitro-6-chlor-chinolin-1-oxyd;

DOI:10.1248/cpb.14.319

upstream raw materials:

6-chloroquinoline N-oxide

sulfuric acid

nitric acid

Refernces