Bis-(4-nitrophenyl)phenylamine

Base Information

• Chemical Name: Bis-(4-nitrophenyl)phenylamine
• CAS No.: 1100-10-3
• Molecular Formula: C18H13 N3 O4
• Molecular Weight: 335.319
• Hs Code.: 2921440000
• DSSTox Substance ID: DTXSID10408371
• Nikkaji Number: J29.965K
• Wikidata: Q72446612
• Mol file: 1100-10-3.mol

Synonyms:Bis-(4-nitrophenyl)phenylamine;1100-10-3;4-nitro-N-(4-nitrophenyl)-N-phenylaniline;4,4'-Dinitrotriphenylamine;BIS(4-NITROPHENYL)PHENYLAMINE;SCHEMBL1039452;YSZC1586;SCHEMBL15848882;DTXSID10408371;NKZATZDYEKDQLV-UHFFFAOYSA-N;AKOS003235720;CS-0170047;FT-0663355;J-002362

Chemical Property of Bis-(4-nitrophenyl)phenylamine

Chemical Property:

• Vapor Pressure: 3.74E-11mmHg at 25°C
• Melting Point: 196-198℃
• Refractive Index: 1.5855 (estimate)
• Boiling Point: 526°C at 760 mmHg
• PKA: -9.39±0.50(Predicted)
• Flash Point: 271.9°C
• PSA: 94.88000
• Density: 1.372g/cm³
• LogP: 6.01920
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 335.09060590
• Heavy Atom Count: 25
• Complexity: 420

Purity/Quality:

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

Bis-(4-nitrophenyl)phenylamine ^*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(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of Bis-(4-nitrophenyl)phenylamine

There total 18 articles about Bis-(4-nitrophenyl)phenylamine 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: 94.5%

→ 4-ntrophenyl(phenyl)amine (836-30-6) + 4,4'-dinitrotriphenylamine (1100-10-3)

Guidance literature:

Reference yield: 92.0%

4-ntrophenyl(phenyl)amine (836-30-6) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 4,4'-dinitrotriphenylamine (1100-10-3)

Guidance literature:

4-ntrophenyl(phenyl)amine; With sodium hydride; In N,N-dimethyl acetamide; at 20 ℃; for 0.5h;

4-Fluoronitrobenzene; In N,N-dimethyl acetamide; at 100 ℃; for 1h;

DOI:10.1021/cm201665g

Reference yield: 90.0%

N,N-diphenylaminobenzene (603-34-9) → 4,4'-dinitrotriphenylamine (1100-10-3)

Guidance literature:

With dinitrogen trioxide; In dichloromethane; at 0 ℃;

DOI:10.1002/ejic.201800654

upstream raw materials:

N,N-diphenylaminobenzene

N,N-bis(p-nitrophenyl)amine

1,4-Cyclohexanedione

4-ntrophenyl(phenyl)amine

Downstream raw materials:

bis(4-aminophenyl)phenylamine

4-bromo-N,N-bis(4-nitrophenyl)benzeneamine

bis[4-(3-methylene-2,5-dioxopyrrolidinyl)phenyl]phenylamine

N,N'-[(phenylimino)di-4,1-phenylene]bis-(5-trifluoromethyl phthalimide)