6,6'-Dinitrodiphenic acid

Base Information

• Chemical Name: 6,6'-Dinitrodiphenic acid
• CAS No.: 5457-32-9
• Molecular Formula: C₁₄H₈N₂O₈
• Molecular Weight: 332.226
• NSC Number: 243736,24946
• DSSTox Substance ID: DTXSID80969803
• Nikkaji Number: J466.602J,J589.159K
• Wikidata: Q82952857
• ChEMBL ID: CHEMBL609950
• Mol file: 5457-32-9.mol

Synonyms:6,6'-Dinitrodiphenic acid;5457-32-9;6,6'-Dinitrobiphenyl-2,2'-dicarboxylic acid;2-(2-carboxy-6-nitrophenyl)-3-nitrobenzoic acid;(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 6,6'-dinitro-;Dinitrobiphenic acid;NSC24946;6,6'-Dinitro-diphensaure;(S)-DNBA;CHEMBL609950;SCHEMBL8610738;Diphenic acid, 6,6'-dinitro-;DTXSID80969803;NSC 24946;NSC-24946;NSC243736;AKOS004903782;NSC-243736;LS-44313;AE-562/12222532;Diphenic acid, 6,6'-dinitro- (6CI,7CI,8CI);6,6'-bisnitro[1,1'-biphenyl]-2,2'-dicarboxylic acid;6,6'-Dinitro[1,1'-biphenyl]-2,2'-dicarboxylic acid;(aS)-6,6'-Dinitro-1,1'-biphenyl-2,2'-dicarboxylic acid;6,6'-DINITRO-[1,1'-BIPHENYL]-2,2'-DICARBOXYLIC ACID

Chemical Property of 6,6'-Dinitrodiphenic acid

Chemical Property:

• Boiling Point: 510.5°Cat760mmHg
• Flash Point: 212.7°C
• PSA: 166.24000
• Density: 1.632g/cm³
• LogP: 3.61280
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 332.02806522
• Heavy Atom Count: 24
• Complexity: 492

Purity/Quality:

99% ^*data from raw suppliers

6,6'-DINITRODIPHENIC ACID 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(=C1)[N+](=O)[O-])C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C(=O)O

Technology Process of 6,6'-Dinitrodiphenic acid

There total 3 articles about 6,6'-Dinitrodiphenic acid 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: 65.0%

C34H18N2O8 (93274-50-1) → (R)-1,1'-Bi-2-naphthol (18531-94-7) + 6,6′-dinitro[1,1′-biphenyl]-2,2′-dicarboxylic acid (5457-32-9,50573-78-9)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1246/bcsj.57.1943

Reference yield:

C34H18I2N2O8 → (S)-[1,1']-binaphthalenyl-2,2'-diol (18531-99-2) + 6,6′-dinitro[1,1′-biphenyl]-2,2′-dicarboxylic acid (5457-32-9,50573-78-9) + m-nitrobenzoic acid

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1246/bcsj.57.1943

Reference yield:

(R)-2,2'-bis(2-iodo-3-nitrobenzoyloxy)-1,1'-binaphthyl → (R)-1,1'-Bi-2-naphthol (18531-94-7) + 6,6′-dinitro[1,1′-biphenyl]-2,2′-dicarboxylic acid (5457-32-9,50573-78-9) + m-nitrobenzoic acid

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1246/bcsj.57.1943

upstream raw materials:

C₃₄H₁₈N₂O₈

Downstream raw materials:

(S)-6,6'-dimethyl-2,2'-diaminobiphenyl

6,6′-dinitro[1,1′-biphenyl]-2,2′-diamine

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