7-Chloro-6-nitroquinoline

Base Information

• Chemical Name: 7-Chloro-6-nitroquinoline
• CAS No.: 58416-31-2
• Molecular Formula: C9H5ClN2O2
• Molecular Weight: 208.6012
• Hs Code.: 2933499090
• NSC Number: 39970
• DSSTox Substance ID: DTXSID00284964
• Wikidata: Q82020164
• Mol file: 58416-31-2.mol

Synonyms:7-chloro-6-nitroquinoline;58416-31-2;7-chloro-6-nitro-quinoline;NSC39970;SCHEMBL358934;DTXSID00284964;PKJPESBDOWOQAI-UHFFFAOYSA-N;AMY10115;MFCD18448459;NSC-39970;AKOS027325533;SB70383;AS-47072;CS-0039510;F11870

Chemical Property of 7-Chloro-6-nitroquinoline

Chemical Property:

• Vapor Pressure: 2.68E-05mmHg at 25°C
• Melting Point: 155-156 °C
• Boiling Point: 368.6°C at 760 mmHg
• PKA: 1.68±0.17(Predicted)
• Flash Point: 176.7°C
• PSA: 58.71000
• Density: 1.484g/cm³
• LogP: 3.31960
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 208.0039551
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

95% purity ^*data from raw suppliers

7-Chloro-6-nitroquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=CC(=C(C=C2N=C1)Cl)[N+](=O)[O-]

Technology Process of 7-Chloro-6-nitroquinoline

There total 6 articles about 7-Chloro-6-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: 48.0%

3-chloro-4-nitroacetanilide (712-33-4) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 5-chloro-6-nitroquinoline (58416-32-3) + 7-chloro-6-nitroquinoline (58416-31-2)

Guidance literature:

3-chloro-4-nitroacetanilide; glycerol; With sulfuric acid; 4-chloro-aniline; for 3h; Reflux;

With ammonia; In water;

DOI:10.1016/j.cclet.2010.10.005

Reference yield:

3-chloro-4-nitroaniline (825-41-2) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 5-chloro-6-nitroquinoline (58416-32-3) + 7-chloro-6-nitroquinoline (58416-31-2)

Guidance literature:

With sulfuric acid; orthoarsenic acid;

Reference yield:

3-chloro-4-nitroaniline (825-41-2) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 7-chloro-6-nitroquinoline (58416-31-2)

Guidance literature:

With arsenic pentoxide; sulfuric acid; at 80 - 150 ℃; for 2h;

upstream raw materials:

3-chloro-4-nitroaniline

glycerol

3-chloro-4-nitroacetanilide

3-Chloroacetanilide

Downstream raw materials:

7-chloro-[6]quinolylamine

Refernces

• 1、 Lan, Tian,Yuan, Xian Xia,Yu, Jiang Hong,Jia, Chao,Wang, Yu Shi,Zhang, Hui Juan,Ma, Zi Feng,Ye, Wei Dong. "Synthesis of mono-substituted derivatives of 6-aminoquinoline". . p. 253 - 255. Retrieved 2012/01/04.