4-Bromo-n-methyl-2-nitroaniline

Base Information

• Chemical Name: 4-Bromo-n-methyl-2-nitroaniline
• CAS No.: 53484-26-7
• Molecular Formula: C7H7 Br N2 O2
• Molecular Weight: 231.049
• Hs Code.: 2921430090
• European Community (EC) Number: 811-962-3
• NSC Number: 86688
• DSSTox Substance ID: DTXSID50292998
• Nikkaji Number: J748.111J
• Wikidata: Q82031539
• Mol file: 53484-26-7.mol

Synonyms:4-bromo-n-methyl-2-nitroaniline;53484-26-7;(4-Bromo-2-nitro-phenyl)-methyl-amine;Benzenamine, 4-bromo-N-methyl-2-nitro-;NSC86688;SCHEMBL339294;DTXSID50292998;N-Methyl-4-bromo-2-nitroaniline;IFTUKVAJYOQKRS-UHFFFAOYSA-N;4-bromo-2-nitro-N-methyl-aniline;5-bromo-2-methylamino-nitrobenzene;(4-bromo-2-nitrophenyl)methylamine;4-Bromo-N-methyl-2-nitrobenzenamine;MFCD00624242;NSC-86688;AKOS009227230;SB37550;AS-33360;N-(4-Bromo-2-nitrophenyl)-N-methylamine;AM20040655;CS-0036371;EN300-69463;A856097

Chemical Property of 4-Bromo-n-methyl-2-nitroaniline

Chemical Property:

• Vapor Pressure: 0.00042mmHg at 25°C
• Melting Point: 97.5-98 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 316.1°C at 760 mmHg
• PKA: -1.68±0.25(Predicted)
• Flash Point: 144.9°C
• PSA: 57.85000
• Density: 1.687g/cm³
• LogP: 2.99520
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 229.96909
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-N-methyl-2-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=C(C=C1)Br)[N+](=O)[O-]

Technology Process of 4-Bromo-n-methyl-2-nitroaniline

There total 18 articles about 4-Bromo-n-methyl-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%

4-Bromo-1-fluoro-2-nitrobenzene (364-73-8) + methylamine (74-89-5) → N-methyl-4-bromo-2-nitroaniline (53484-26-7)

Guidance literature:

In methanol; at 80 ℃; for 2h; Sealed tube;

Reference yield: 99.0%

4-Bromo-2-nitroaniline (875-51-4) + methyl iodide (74-88-4) → N-methyl-4-bromo-2-nitroaniline (53484-26-7)

Guidance literature:

4-Bromo-2-nitroaniline; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.166667h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c3ob41498a

Reference yield: 96.0%

→ N-methyl-4-bromo-2-nitroaniline (53484-26-7)

Guidance literature:

In tetrahydrofuran; dichloromethane; at 20 ℃; for 18h;

upstream raw materials:

2-nitro-N-methylaniline

(4-methylamino-3-nitro-phenyl)-arsonic acid

4-bromo-N-methyl-2-nitro-N-nitroso-aniline

1,4-dibromo-2-nitrobenzene

Downstream raw materials:

2,4-dibromo-N-methyl-6-nitro-aniline

4-bromo-N-methyl-2,6,N-trinitro-aniline

2-N-methylamino-5-bromoaniline

1-benzoyl-3-(5-bromo-2-methylamino-phenyl)-thiourea