(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-

Base Information

• Chemical Name: (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-
• CAS No.: 18811-76-2
• Molecular Formula: C₁₄H₆N₄O₁₂
• Molecular Weight: 422.221
• NSC Number: 243733
• DSSTox Substance ID: DTXSID80172158
• Nikkaji Number: J1.104.736J
• Wikidata: Q83042296
• ChEMBL ID: CHEMBL310849
• Mol file: 18811-76-2.mol

Synonyms:18811-76-2;(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-;NSC243733;4,4',6,6'-tetranitrobiphenyl-2,2'-dicarboxylic acid;2,4,4'-Trinitro-2',6-dicarboxybiphenyl;4,4',6,6'-tetranitro-2,2'-dicarboxybiphenyl;CHEMBL310849;SCHEMBL1509253;DTXSID80172158;NSC 243733;NSC-243733

Chemical Property of (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-

Chemical Property:

• Melting Point: 294 °C
• Boiling Point: 579.7°Cat760mmHg
• PKA: 1.82±0.22(Predicted)
• Flash Point: 235.5°C
• PSA: 257.88000
• Density: 1.858g/cm³
• LogP: 4.47560
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 421.99822164
• Heavy Atom Count: 30
• Complexity: 701

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(=C1C(=O)O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-

There total 2 articles about (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro- 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:

→ (+)-4,6,4',6'-tetranitro-diphenic acid (5872-10-6,18811-76-2)

Guidance literature:

With quinidine;

Reference yield:

→ (-)-4,6,4',6'-tetranitro-diphenic acid (5872-10-6,18811-76-2)

Guidance literature:

With quinidine;

Reference yield:

4,4',6,6'-tetranitro-2,2'-dicarboxybiphenyl (18811-76-2,169737-61-5) → 2,7-diamino-5,9-dihydro-dibenzo[de,ij][2,6]naphthyridine-5,10-dione (55621-48-2)

Guidance literature:

With hydrogenchloride; acetic acid; tin(ll) chloride;

Downstream raw materials:

2,7-diamino-5,9-dihydro-dibenzo[de,ij][2,6]naphthyridine-5,10-dione

4,4',6,6'-tetranitro-2,2'-dicarboxybiphenyl dimethyl ester