1-(2,4-Dinitrobenzyl)-2,4-dinitrobenzene

Base Information

• Chemical Name: 1-(2,4-Dinitrobenzyl)-2,4-dinitrobenzene
• CAS No.: 1817-76-1
• Molecular Formula: C13H8 N4 O8
• Molecular Weight: 348.229
• European Community (EC) Number: 688-703-4
• NSC Number: 48921,32297
• DSSTox Substance ID: DTXSID00283598
• Nikkaji Number: J136.465K
• Wikidata: Q82018225
• Mol file: 1817-76-1.mol

Synonyms:1817-76-1;1-(2,4-dinitrobenzyl)-2,4-dinitrobenzene;2,2',4,4'-tetranitrodiphenylmethane;1-[(2,4-dinitrophenyl)methyl]-2,4-dinitrobenzene;Benzene, 1,1'-methylenebis[2,4-dinitro-;1,1'-methanediylbis(2,4-dinitrobenzene);NSC32297;Bis(2,4-dinitrophenyl)methane;SCHEMBL5079763;SCHEMBL5333075;DTXSID00283598;NSC48921;NSC 32297;NSC 48921;NSC-32297;NSC-48921;AKOS021983197;2,4,2',4'-Tetranitro-diphenylmethan;FT-0675116;J-011628

Chemical Property of 1-(2,4-Dinitrobenzyl)-2,4-dinitrobenzene

Chemical Property:

• Melting Point: 175°C
• Boiling Point: 534°Cat760mmHg
• Flash Point: 264.4°C
• PSA: 183.28000
• Density: 1.61g/cm³
• LogP: 5.00300
• Solubility.: DMF, DMSO
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 348.03421323
• Heavy Atom Count: 25
• Complexity: 500

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2’,4,4’-Tetranitrodiphenylmethane ^*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-])[N+](=O)[O-])CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• Uses: 2,2’,4,4’-Tetranitrodiphenylmethane (cas# 1817-76-1) is a compound useful in organic synthesis.

Technology Process of 1-(2,4-Dinitrobenzyl)-2,4-dinitrobenzene

There total 10 articles about 1-(2,4-Dinitrobenzyl)-2,4-dinitrobenzene 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: 92.0%

Diphenylmethane (101-81-5) → 2,2',4,4'-tetranitrodiphenylmethane (1817-76-1)

Guidance literature:

With sulfuric acid; potassium nitrate; at 30 - 70 ℃;

DOI:10.1021/jm5018303

Reference yield: 60.0%

bis(4-nitrophenyl)methane (1817-74-9) → 2,2',4,4'-tetranitrodiphenylmethane (1817-76-1)

Guidance literature:

With sulfuric acid; nitric acid; at 120 - 140 ℃; for 3h;

Reference yield:

Diphenylmethane (101-81-5) + nitric acid (7697-37-2,78989-43-2) → bis(4-nitrophenyl)methane (1817-74-9) + 2,2',4,4'-tetranitrodiphenylmethane (1817-76-1) + 2,4'-dinitrodiphenylmethane (1817-75-0)

Guidance literature:

upstream raw materials:

Diphenylmethane

bis(4-nitrophenyl)methane

C₁₃H₇N₄O₈^(1-)

2,4,2',4'-Tetranitro-diphenylessigsaeure

Downstream raw materials:

2,4-dinitrophenyl-2,4,6-trinitrophenylmethane

4,4'-methanediyl-bis-m-phenylenediamine

2,2',4,4'–tetranitrodibenzophenone

2,4,2',4'-tetraamino-benzophenone

Refernces

• 1、 Nunhart, Patrik,Konko?ová, Eva,Janovec, Ladislav,Jend?elovsky, Rastislav,Vargová, Jana,?evc, Juraj,Matejová, Mária,Miltáková, Beata,Fedoro?ko, Peter,Kozurkova, Mária. "Fluorinated 3,6,9-trisubstituted acridine derivatives as DNA interacting agents and topoisomerase inhibitors with A549 antiproliferative activity". . . Retrieved 2020.
• 2、 -. "CANCER TREATMENT USING SPECIFIC 3,6,9-SUBSTITUTED ACRIDINES". Figure 1. . Retrieved 2008/06/13.