7-Nitroquinoline

Base Information

• Chemical Name: 7-Nitroquinoline
• CAS No.: 613-51-4
• Molecular Formula: C9H6 N2 O2
• Molecular Weight: 174.159
• Hs Code.: 2933499090
• NSC Number: 137449
• UNII: YX74MF3NVS
• DSSTox Substance ID: DTXSID10210198
• Nikkaji Number: J84.929D
• Wikidata: Q72496223
• Mol file: 613-51-4.mol

Synonyms:7-Nitroquinoline;613-51-4;QUINOLINE, 7-NITRO-;7-nitro-quinoline;MFCD00234498;YX74MF3NVS;NSC 137449;BRN 0136189;MLS002920404;NSC-137449;7-Nitro-chinolin;NSC137449;UNII-YX74MF3NVS;SCHEMBL1012937;AMY1744;DTXSID10210198;BCP26075;AKOS000276885;CS-W002561;SMR001797996;SY009016;LS-142074;FT-0647561;EN300-117817;A833182;AE-842/30168012;J-519324

Chemical Property of 7-Nitroquinoline

Chemical Property:

• Vapor Pressure: 0.000233mmHg at 25°C
• Melting Point: 132.5°C
• Refractive Index: 1.6820 (rough estimate)
• Boiling Point: 335.4°C at 760 mmHg
• PKA: 1.25±0.14(Predicted)
• Flash Point: 156.7°C
• PSA: 58.71000
• Density: 1.354g/cm³
• LogP: 2.66620
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 174.042927438
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

99%, ^*data from raw suppliers

7-Nitroquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C(C=C2)[N+](=O)[O-])N=C1

Technology Process of 7-Nitroquinoline

There total 5 articles about 7-Nitroquinoline 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: 35.0%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + 3-nitro-aniline (99-09-2) → 5-nitroquinoline (607-34-1) + 7-nitroquinoline (613-51-4)

Guidance literature:

With arsenic(V) oxide; sulfuric acid; at 170 ℃; for 8h;

DOI:10.1055/s-1981-29435

Reference yield: 14.0%

7-nitro-1,2,3,4-tetrahydro-quinoline (30450-62-5) + nitrobenzene (98-95-3,26969-40-4) → 7-nitroquinoline (613-51-4) + aniline (62-53-3)

Guidance literature:

With nickel-nitrogen-doped carbon framework; In water; at 145 ℃; for 18h; Inert atmosphere; Sealed tube; Green chemistry;

DOI:10.1039/c9gc04358f

Reference yield:

quinoline (91-22-5) → 6-nitroquinoline (613-50-3) + 7-nitroquinoline (613-51-4)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; acetic acid; und Natriumnitrit;

DOI:10.1039/jr9540000400

upstream raw materials:

quinoline

glycerol

3-nitro-aniline

sulfuric acid

Downstream raw materials:

7-amino-1,2,3,4-tetrahydroquinoline

7-nitrocarbostyril

7-Nitro-chinolin-1-oxyd

8-amino-7-nitroquinoline

Refernces

• 1、 -. "Chemokine receptor binding heterocyclic compounds". Page column 41-42. . Retrieved 2008/06/13.
• 2、 Sharma,Kumari,Singh. "Condensed heterocycles; XI. Synthesis of 1,2,5-thia(selena)diazolo[3,4-b]quinolines and 1,2,5-thia(selena)diazolo[3,4-h]quinolines". . p. 316 - 318. Retrieved 2007/10/02.