4,4'-Dinitro-[1,1'-biphenyl]-2,2'-dicarboxylic acid

Base Information

• Chemical Name: 4,4'-Dinitro-[1,1'-biphenyl]-2,2'-dicarboxylic acid
• CAS No.: 20246-81-5
• Molecular Formula: C14H8 N2 O8
• Molecular Weight: 332.226
• Hs Code.: 2917399090
• NSC Number: 128627
• DSSTox Substance ID: DTXSID80174091
• Nikkaji Number: J754.398K
• Wikidata: Q72472481
• ChEMBL ID: CHEMBL1869992
• Mol file: 20246-81-5.mol

Synonyms:20246-81-5;4,4'-Dinitro-[1,1'-biphenyl]-2,2'-dicarboxylic acid;2-(2-carboxy-4-nitrophenyl)-5-nitrobenzoic acid;4,4'-DINITRODIPHENIC ACID;4,4'-Dinitrobiphenyl-2,2'-dicarboxylic acid;MLS002920012;4,4'-Dinitro-1,1'-biphenyl-2,2'-dicarboxylic acid;(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4'-dinitro-;4,4'-Dinitro-(1,1'-biphenyl)-2,2'-dicarboxylic acid;[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 4,4'-dinitro-;[1,1'-Biphenyl]-2,2'-dicarboxylicacid, 4,4'-dinitro-;Diphenic acid, 4,4'-dinitro-;4,4'-Dinitro-2,2'-dicarboxybiphenyl;SCHEMBL679262;CHEMBL1869992;C14H8N2O8;DTXSID80174091;CDYUHLLQUAYYHD-UHFFFAOYSA-N;MFCD21337356;NSC128627;NSC 128627;NSC-128627;DS-19178;SMR001797611;CS-0110845;4,4'-Dinitro-2,2'-biphenyldicarboxylic acid;F21345;4,4'-Dinitro-[1,1'-biphenyl]-2,2'-dicarboxylicacid

Chemical Property of 4,4'-Dinitro-[1,1'-biphenyl]-2,2'-dicarboxylic acid

Chemical Property:

• Melting Point: 258-259℃
• Boiling Point: 539.5°Cat760mmHg
• PKA: 2.61±0.22(Predicted)
• Flash Point: 225.2°C
• PSA: 166.24000
• Density: 1.632g/cm³
• LogP: 3.61280
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

97% ^*data from raw suppliers

4,4-DinitrodiphenicAcid ^*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-])C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Technology Process of 4,4'-Dinitro-[1,1'-biphenyl]-2,2'-dicarboxylic acid

There total 16 articles about 4,4'-Dinitro-[1,1'-biphenyl]-2,2'-dicarboxylic 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: 95.0%

diphenic acid (863305-32-2) → 4,4'-dinitrodiphenic acid (20246-81-5)

Guidance literature:

With sulfuric acid; nitric acid; at -15 - 28 ℃; for 24h;

Reference yield:

3-nitrobenzoic acid (121-92-6) → 4,4'-dinitrodiphenic acid (20246-81-5)

Guidance literature:

With rhodium(III) chloride trihydrate; tetrabutylammonium acetate; In N,N-dimethyl-formamide; at 80 ℃; for 20h; Electrolysis;

DOI:10.1021/acscatal.1c01127

Reference yield:

2-chloro-5-nitrobenzoic acid (2516-96-3) → 4,4'-dinitrodiphenic acid (20246-81-5)

Guidance literature:

With N,N-diethyl-1,3-benzenediamine; copper; sodium carbonate; weiteres Reagens: Isoamylalkohol;

upstream raw materials:

2-chloro-5-nitrobenzoic acid

N,N-diethyl-1,3-benzenediamine

1-Iodonaphthalene

methyl 2-iodo-5-nitrobenzoate

Downstream raw materials:

4,4'-dinitrobiphenyl

4,4'-dinitro-2,2'-diphenic acid anhydride

4,4'-diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid

bis{ω-[4-(4-cyanophenyl)phenoxy]hexyl}4,4'-dinitro-biphenyl-2,2'-dicarboxylate