8-Chloro-5-nitroisoquinoline

Base Information

• Chemical Name: 8-Chloro-5-nitroisoquinoline
• CAS No.: 156901-43-8
• Molecular Formula: C9H5ClN2O2
• Molecular Weight: 208.6012
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID50697686
• Wikidata: Q82627661
• Mol file: 156901-43-8.mol

Synonyms:8-CHLORO-5-NITROISOQUINOLINE;156901-43-8;SCHEMBL619318;DTXSID50697686;IFAMHAYSMRYQCQ-UHFFFAOYSA-N;AKOS016014441;AC-9439;CS-0217825;FT-0738304;EN300-8660522;A850447;J-519421

Chemical Property of 8-Chloro-5-nitroisoquinoline

Chemical Property:

• Boiling Point: 370.2±27.0 °C(Predicted)
• PKA: 2.81±0.36(Predicted)
• PSA: 58.71000
• Density: 1.484±0.06 g/cm3(Predicted)
• LogP: 3.31960
• Storage Temp.: 2-8°C
• 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:

97% ^*data from raw suppliers

8-Chloro-5-nitroisoquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 8-Chloro-5-nitroisoquinoline

There total 1 articles about 8-Chloro-5-nitroisoquinoline 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: 92.0%

8-chloroisoquinoline (34784-07-1) → 8-chloro-5-nitroisoquinoline (156901-43-8)

Guidance literature:

With sulfuric acid; potassium nitrate; at 45 - 50 ℃; for 6h;

upstream raw materials:

8-chloroisoquinoline