N-(4-bromophenyl)-2-nitroaniline

Base Information

• Chemical Name: N-(4-bromophenyl)-2-nitroaniline
• CAS No.: 58476-59-8
• Molecular Formula: C12H9BrN2O2
• Molecular Weight: 293.12
• Hs Code.: 2921440000
• DSSTox Substance ID: DTXSID20475559
• Nikkaji Number: J303.801G
• Wikidata: Q82306161
• Mol file: 58476-59-8.mol

Synonyms:N-(4-bromophenyl)-2-nitroaniline;58476-59-8;N-(4-BROMOPHENYL)-2-NITROBENZENAMINE;MFCD00092900;(4-bromophenyl)-(2-nitrophenyl) amine;N-(4-BROMOPHENYL)-2-NITROBENZAMINE;SCHEMBL338789;DTXSID20475559;GMFUKKONFZISMI-UHFFFAOYSA-N;(4-bromophenyl)-(2-nitrophenyl)amine;AKOS027254686;(4-bromophenyl)-(2-nitrophenyl)-amine;(4-Bromo-phenyl)-(2-nitro-phenyl)amine;AS-30097;SY094353;(4-bromo-phenyl)-(2-nitro-phenyl)-amine;CS-0060479

Chemical Property of N-(4-bromophenyl)-2-nitroaniline

Chemical Property:

• Melting Point: 162 °C
• Boiling Point: 393.1±27.0 °C(Predicted)
• PKA: -4.06±0.40(Predicted)
• PSA: 57.85000
• Density: 1.597±0.06 g/cm3(Predicted)
• LogP: 4.69710
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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: 262

Purity/Quality:

97% ^*data from raw suppliers

N-(4-Bromophenyl)-2-nitroaniline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)NC2=CC=C(C=C2)Br)[N+](=O)[O-]

Technology Process of N-(4-bromophenyl)-2-nitroaniline

There total 7 articles about N-(4-bromophenyl)-2-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: 100.0%

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) + 4-bromo-aniline (106-40-1) → 4-bromo-N-(2-nitrophenyl)benzenamine (58476-59-8)

Guidance literature:

In dimethyl sulfoxide; at 100 ℃; for 48h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.tet.2014.03.017

Reference yield: 98.0%

1,4-bromoiodobenzene (589-87-7) + 2-nitro-aniline (88-74-4) → 4-bromo-N-(2-nitrophenyl)benzenamine (58476-59-8)

Guidance literature:

With potassium phosphate; copper(l) iodide; In N,N-dimethyl-formamide; at 90 ℃; for 20h;

DOI:10.1002/chem.200501473

Reference yield: 80.0%

2-Chloronitrobenzene (88-73-3) + 4-bromo-aniline (106-40-1) → 4-bromo-N-(2-nitrophenyl)benzenamine (58476-59-8)

Guidance literature:

With potassium fluoride; potassium carbonate; for 0.333333h; Heating; microwave irradiation;

DOI:10.1055/s-2003-37530

upstream raw materials:

2-Chloronitrobenzene

4-bromo-aniline

1.4-dibromobenzene

2-nitro-aniline

Downstream raw materials:

N-(4-Bromo-phenyl)-N-methyl-benzene-1,2-diamine

4-(2-Bromo-5-methyl-5H-dibenzo[b,e][1,4]diazepin-11-yl)-benzoic acid methyl ester

N-{2-[(4-Bromo-phenyl)-methyl-amino]-phenyl}-terephthalamic acid methyl ester

N-[2-(4-bromophenyl amino) phenyl] benzamide