N-(4-bromophenyl)-4-nitroaniline

Base Information

• Chemical Name: N-(4-bromophenyl)-4-nitroaniline
• CAS No.: 40932-71-6
• Molecular Formula: C12H9 Br N2 O2
• Molecular Weight: 293.12
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID00406407
• Wikidata: Q72448587
• Mol file: 40932-71-6.mol

Synonyms:40932-71-6;N-(4-bromophenyl)-4-nitroaniline;4-bromo-4'-nitrodiphenylamine;4-Bromo-N-(4-nitrophenyl)benzenamine;DTXSID00406407;AKOS000286073

Chemical Property of N-(4-bromophenyl)-4-nitroaniline

Chemical Property:

• Melting Point: 162-163 ºC
• PSA: 57.85000
• Density: 1.597
• LogP: 4.69710
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 291.98474
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

98%Min ^*data from raw suppliers

4-Bromo-N-(4-nitrophenyl)benzenamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC2=CC=C(C=C2)Br)[N+](=O)[O-]

Technology Process of N-(4-bromophenyl)-4-nitroaniline

There total 5 articles about N-(4-bromophenyl)-4-nitroaniline 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: 93.0%

1,4-bromoiodobenzene (589-87-7) + 4-nitro-aniline (100-01-6,104810-17-5) → 4-bromo-N-(4-nitrophenyl)aniline (40932-71-6)

Guidance literature:

With silver hexafluoroantimonate; chloro[di(1-adamantyl)-2-dimethylaminophenylphosphine]gold(I); In methanol; at 0 - 80 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.9b03082

Reference yield:

4-ntrophenyl(phenyl)amine (836-30-6) → 4-bromo-N-(4-nitrophenyl)aniline (40932-71-6)

Guidance literature:

With pyridine; sulfuric acid; bromine; acetic acid;

Reference yield:

pyridine (110-86-1) + sulfuric acid (7664-93-9) + 4-ntrophenyl(phenyl)amine (836-30-6) + bromine (7726-95-6) + acetic acid (64-19-7,77671-22-8) → 4-bromo-N-(4-nitrophenyl)aniline (40932-71-6)

Guidance literature:

upstream raw materials:

4-ntrophenyl(phenyl)amine

pyridine

sulfuric acid

bromine

Downstream raw materials:

4-bromo-N-methyl-N-(4-nitrophenyl)aniline