4-Bromo-2,6-dinitroaniline

Base Information

• Chemical Name: 4-Bromo-2,6-dinitroaniline
• CAS No.: 62554-90-9
• Molecular Formula: C6H4BrN3O4
• Molecular Weight: 262.019
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID60395863
• Nikkaji Number: J1.449.920B
• Wikidata: Q82196205
• Mol file: 62554-90-9.mol

Synonyms:4-bromo-2,6-dinitroaniline;62554-90-9;Benzenamine, 4-bromo-2,6-dinitro-;4-bromo-2,6-dinitrobenzenamine;MFCD00955747;SCHEMBL221077;DTXSID60395863;IIUAAKYBFINVAD-UHFFFAOYSA-N;AMY25070;AKOS016008495;AS-3227;CS-W000553;SY018666;FT-0718237;A915779

Chemical Property of 4-Bromo-2,6-dinitroaniline

Chemical Property:

• Melting Point: 162 °C
• Boiling Point: 360.0±37.0 °C(Predicted)
• PKA: -6.21±0.25(Predicted)
• PSA: 117.66000
• Density: 1.991±0.06 g/cm3(Predicted)
• LogP: 3.47530
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 260.93852
• Heavy Atom Count: 14
• Complexity: 226

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2,6-dinitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])Br
• Uses: 4-Bromo-2,6-dinitroaniline is used as a reactant in the preparation of quinazolinone derivatives as antiviral agents.

Technology Process of 4-Bromo-2,6-dinitroaniline

There total 20 articles about 4-Bromo-2,6-dinitroaniline 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: 95.0%

2,6-dinitroaniline (606-22-4) → 4-bromo-2,6-dinitroaniline (62554-90-9)

Guidance literature:

With bromine; In acetic acid; at 120 ℃; for 2h;

Reference yield:

5-bromo-2-chloro-1,3-dinitro-benzene (51796-82-8) → 4-bromo-2,6-dinitroaniline (62554-90-9)

Guidance literature:

With ethanol; ammonia;

Reference yield:

2,5-dibromo-1,3-dinitro-benzene (6310-99-2) → 4-bromo-2,6-dinitroaniline (62554-90-9)

Guidance literature:

With ethanol; ammonia; at 100 ℃;

upstream raw materials:

4-bromoacetanilide

2,6-dinitroaniline

2,5-dibromo-1,3-dinitro-benzene

5-bromo-2-chloro-1,3-dinitro-benzene

Downstream raw materials:

4-bromo-2,6-dinitrophenol

2,6-dinitro-4-pyridin-3-yl-aniline

4-bromo-2,6-dinitroiodobenzene