4-Bromo-2,6-dinitrophenol

Base Information

• Chemical Name: 4-Bromo-2,6-dinitrophenol
• CAS No.: 40466-95-3
• Molecular Formula: C6H3BrN2O5
• Molecular Weight: 263.004
• Hs Code.: 2908999090
• DSSTox Substance ID: DTXSID00193481
• Nikkaji Number: J1.889.550A
• Wikidata: Q83066222
• Mol file: 40466-95-3.mol

Synonyms:4-Bromo-2,6-dinitrophenol;40466-95-3;Phenol, 4-bromo-2,6-dinitro-;C6H3BrN2O5;2,6-Dinitro-4-bromphenol;SCHEMBL4144580;DTXSID00193481;AKOS025122368;EN300-128561

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

Chemical Property:

• Melting Point: 78°C
• Refractive Index: 1.6100 (estimate)
• PSA: 111.87000
• Density: 2.2789 (rough estimate)
• LogP: 3.01750
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 261.92253
• Heavy Atom Count: 14
• Complexity: 226

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 31 articles about 4-Bromo-2,6-dinitrophenol 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%

4-bromo-phenol (106-41-2) → 4-bromo-2,6-dinitrophenol (40466-95-3)

Guidance literature:

With dinitrogen tetraoxide; ferric nitrate; In ethyl acetate; for 0.0833333h; Heating;

DOI:10.1080/00397919708005630

Reference yield: 74.0%

2,6-dinitrophenol (573-56-8) → 4-bromo-2,6-dinitrophenol (40466-95-3)

Guidance literature:

With sulfuric acid; bromine; at 100 ℃; for 3.5h;

Reference yield: 53.0%

4-bromo-2-nitrophenol (7693-52-9) → 4-bromo-2,6-dinitrophenol (40466-95-3)

Guidance literature:

With nitric acid; In dichloromethane; at 0 - 20 ℃; for 3h;

upstream raw materials:

4-bromo-phenol

4-bromo-2-nitrophenol

2,6-dinitrophenol

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

Downstream raw materials:

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

2-bromo-4,6-dinitrophenol

2,4,6-Trinitrophenol

4-bromo-2,6-dinitroanisole