6-Bromo-5-nitroquinoline

Base Information

• Chemical Name: 6-Bromo-5-nitroquinoline
• CAS No.: 98203-04-4
• Molecular Formula: C9H5 Br N2 O2
• Molecular Weight: 253.055
• Hs Code.: 2933499090
• NSC Number: 132317
• DSSTox Substance ID: DTXSID10299726
• Nikkaji Number: J2.792.511A
• Wikidata: Q72448761
• Mol file: 98203-04-4.mol

Synonyms:6-bromo-5-nitroquinoline;98203-04-4;NSC 132317;6-bromo-5-nitro-quinoline;Quinoline, 6-bromo-5-nitro-;NSC132317;SCHEMBL4079065;DTXSID10299726;ISBMTVQQECNRQY-UHFFFAOYSA-N;MFCD00837754;AKOS015833961;DS-3083;NSC-132317;FT-0726910;C77357;EN300-102199;A851249

Chemical Property of 6-Bromo-5-nitroquinoline

Chemical Property:

• Melting Point: 130°C
• Refractive Index: 1.5140 (estimate)
• PSA: 58.71000
• Density: 1.7693 (rough estimate)
• LogP: 3.42870
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 251.95344
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

98%Min ^*data from raw suppliers

6-Bromo-5-nitroquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Bromo-5-nitroquinoline

There total 3 articles about 6-Bromo-5-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: 100.0%

6-bromoquinoline (5332-25-2) → 6-bromo-5-nitroquinoline (98203-04-4)

Guidance literature:

With sulfuric acid; nitric acid; at -5 - 0 ℃; for 2h;

DOI:10.24820/ark.5550190.p010.374

Reference yield:

1,2,3,4-tetrahydroisoquinoline (635-46-1) → 6-bromo-5-nitroquinoline (98203-04-4)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine

2: sulfuric acid; nitric acid / 2 h / -5 - 0 °C

With sulfuric acid; bromine; nitric acid;

DOI:10.24820/ark.5550190.p010.374

Reference yield:

6-bromoquinoline (5332-25-2) → 6-bromo-5-nitroquinoline (98203-04-4)

Guidance literature:

upstream raw materials:

6-bromoquinoline

1,2,3,4-tetrahydroisoquinoline

Downstream raw materials:

6-methoxy-5-nitroquinoline

6-bromo-5-aminoquinoline

6-amino-5-nitroquinoline

6-methylamino-5-nitroquinoline

Refernces

• 1、 Harrison, Justin R.,Brand, Stephen,Smith, Victoria,Robinson, David A.,Thompson, Stephen,Smith, Alasdair,Davies, Kenneth,Mok, Ngai,Torrie, Leah S.,Collie, Iain,Hallyburton, Irene,Norval, Suzanne,Simeons, Frederick R. C.,Stojanovski, Laste,Frearson, Julie A.,Brenk, Ruth,Wyatt, Paul G.,Gilbert, Ian H.,Read, Kevin D.. "A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors". supporting information. p. 8374 - 8389. Retrieved 2018/09/25.
• 2、 -. "BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS". Page/Page column 78. . Retrieved 2008/12/05.