4-Bromo-1-nitroisoquinoline

Base Information

• Chemical Name: 4-Bromo-1-nitroisoquinoline
• CAS No.: 182184-81-2
• Molecular Formula: C₉H₅BrN₂O₂
• Molecular Weight: 253.055
• Hs Code.: 2933499090
• European Community (EC) Number: 873-060-6
• DSSTox Substance ID: DTXSID90570787
• Nikkaji Number: J752.095F
• Wikidata: Q82458335
• Mol file: 182184-81-2.mol

Synonyms:4-Bromo-1-nitroisoquinoline;182184-81-2;4-BROMO-1-NITRO-ISOQUINOLINE;Isoquinoline, 4-bromo-1-nitro-;DTXSID90570787;SB34519;BS-53079;CS-0196900;E78004;A909196

Chemical Property of 4-Bromo-1-nitroisoquinoline

Chemical Property:

• Boiling Point: 391.4±27.0 °C(Predicted)
• PKA: -3.57±0.31(Predicted)
• PSA: 58.71000
• Density: 1.747±0.06 g/cm3(Predicted)
• LogP: 3.42870
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• 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:

97% ^*data from raw suppliers

4-Bromo-1-nitro-isoquinoline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN=C2[N+](=O)[O-])Br

Technology Process of 4-Bromo-1-nitroisoquinoline

There total 1 articles about 4-Bromo-1-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: 55.0%

4-bromoisoquinoline (1532-97-4) → 4-Bromo-1-nitroisoquinoline (182184-81-2)

Guidance literature:

With potassium nitrite; acetic anhydride; dimethyl sulfoxide; In N,N,N,N,N,N-hexamethylphosphoric triamide; for 2h; Ambient temperature;

DOI:10.1039/P19960001777

upstream raw materials:

4-bromoisoquinoline