2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol

Base Information

• Chemical Name: 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol
• CAS No.: 14184-98-6
• Molecular Formula: C12H4 N6 O14
• Molecular Weight: 456.196
• Hs Code.: 2907299090
• European Community (EC) Number: 238-037-1
• DSSTox Substance ID: DTXSID90161836
• Nikkaji Number: J216.897I
• Wikidata: Q83030287
• Mol file: 14184-98-6.mol

Synonyms:14184-98-6;2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol;EINECS 238-037-1;2,2',4,4',6,6'-hexanitro[1,1'-biphenyl]-3,3'-diol;3-(3-hydroxy-2,4,6-trinitrophenyl)-2,4,6-trinitrophenol;DTXSID90161836;C12H4N6O14;C12-H4-N6-O14;2,2',4,4',6,6'-Hexanitro-1,1'-biphenyl-3,3'-diol;(1,1'-Biphenyl)-3,3'-diol, 2,2',4,4',6,6'-hexanitro-;2,2/',4,4/',6,6/'-Hexanitro(1,1/'-biphenyl)-3,3/'-diol

Chemical Property of 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol

Chemical Property:

• Boiling Point: 508.2°Cat760mmHg
• Flash Point: 204.5°C
• PSA: 315.38000
• Density: 2.049g/cm³
• LogP: 5.35320
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 1
• Exact Mass: 455.97854882
• Heavy Atom Count: 32
• Complexity: 751

Purity/Quality:

99% ^*data from raw 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-])O)[N+](=O)[O-])C2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol

There total 2 articles about 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol 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:

1,1'-biphenyl-3,3'-diol (612-76-0) → 3,3'-dihydroxy-2,2',4,4',6,6'-hexanitrobiphenyl (14184-98-6)

Guidance literature:

With sulfuric acid; anschliessend Behandeln mit einem Gemisch von Salpetersaeure und rauchender Schwefelsaeure, zuletzt unter Erwaermen;

Reference yield:

→ 3,3'-dihydroxy-2,2',4,4',6,6'-hexanitrobiphenyl (14184-98-6)

Guidance literature:

entspr. Dimethylverb., Oxidation;

upstream raw materials:

1,1'-biphenyl-3,3'-diol