4,4'-Dihydroxy-3,3'-dinitrobiphenyl

Base Information

• Chemical Name: 4,4'-Dihydroxy-3,3'-dinitrobiphenyl
• CAS No.: 66041-61-0
• Molecular Formula: C12H8N2O6
• Molecular Weight: 276.205
• UNII: 2YTG6I1EJV
• DSSTox Substance ID: DTXSID40216249
• Nikkaji Number: J2.191.539D
• Wikidata: Q83092457
• ChEMBL ID: CHEMBL3427568
• Mol file: 66041-61-0.mol

Synonyms:4,4'-Dihydroxy-3,3'-dinitrobiphenyl;CCRIS 5767;66041-61-0;2YTG6I1EJV;3,3'-dinitro-4,4'-dihydroxybiphenyl;UNII-2YTG6I1EJV;SCHEMBL4368126;CHEMBL3427568;DTXSID40216249;NTXCSKZBHUKPQU-UHFFFAOYSA-N;3,3'-Dinitrobiphenyl-4,4'-diol;LS-188701;3,3'-Dinitro[1,1'-biphenyl]-4,4'-diol #;(1,1'-BIPHENYL)-4,4'-DIOL, 3,3'-DINITRO-

Chemical Property of 4,4'-Dihydroxy-3,3'-dinitrobiphenyl

Chemical Property:

• Boiling Point: 412.1°Cat760mmHg
• Flash Point: 175.1°C
• PSA: 132.10000
• Density: 1.575g/cm³
• LogP: 3.62760
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 276.03823598
• Heavy Atom Count: 20
• Complexity: 343

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

4,4'-DIHYDROXY-3,3'-DINITROBIPHENYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O

Technology Process of 4,4'-Dihydroxy-3,3'-dinitrobiphenyl

There total 4 articles about 4,4'-Dihydroxy-3,3'-dinitrobiphenyl 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: 25.0%

phenol (108-95-2,27073-41-2) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 3,3'-dinitro-[1,1'-biphenyl]-4,4’-diol (66041-61-0) + 2-hydroxynitrobenzene (88-75-5,78813-12-4)

Guidance literature:

With ammonium cerium(IV) nitrate; In acetic acid; at 80 ℃; for 4h;

Reference yield:

biphenyl (92-52-4,1594-86-1) → 4-hydroxy-3,5-dinitrobiphenyl (4097-53-4) + 3,3'-dinitro-[1,1'-biphenyl]-4,4’-diol (66041-61-0) + 4-phenyl-2-nitrophenol (885-82-5) + 2-hydroxy-3-nitrobiphenyl (4291-30-9)

Guidance literature:

With sodium nitrate; silica gel; In water; at 25 ℃; Further byproducts given; Irradiation;

DOI:10.1248/cpb.33.2507

Reference yield:

biphenyl (92-52-4,1594-86-1) → 3,3'-dinitro-[1,1'-biphenyl]-4,4’-diol (66041-61-0) + 4-phenyl-2-nitrophenol (885-82-5) + 2-hydroxy-3-nitrobiphenyl (4291-30-9) + 4-hydroxy-3,3'-dinitrobiphenyl (97851-14-4)

Guidance literature:

With sodium nitrate; silica gel; In water; at 25 ℃; Further byproducts given; Irradiation;

DOI:10.1248/cpb.33.2507

upstream raw materials:

biphenyl

phenol

Downstream raw materials:

3,3'-diamino-[1,1'-biphenyl]-4,4'-diol

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