N1-Methyl-4-nitrobenzene-1,2-diamine

Base Information

• Chemical Name: N1-Methyl-4-nitrobenzene-1,2-diamine
• CAS No.: 41939-61-1
• Molecular Formula: C7H9N3O2
• Molecular Weight: 167.167
• Hs Code.: 2921590090
• European Community (EC) Number: 808-144-3
• DSSTox Substance ID: DTXSID40392330
• Nikkaji Number: J89.432J
• Wikidata: Q72496507
• Mol file: 41939-61-1.mol

Synonyms:N1-Methyl-4-nitrobenzene-1,2-diamine;41939-61-1;1-N-methyl-4-nitrobenzene-1,2-diamine;N1-Methyl-4-nitro-1,2-benzenediamine;N1-Methyl-4-nitro-o-phenyldiamin;N'-Methyl-4-nitrophenylene-1,2-diamine;N1-Methyl-4-nitro-benzene-1,2-diamine;MFCD00156607;N-(2-Amino-4-nitrophenyl)-N-methylamine;N~1~-methyl-4-nitrobenzene-1,2-diamine;2-Methylamino-5-nitroaniline;N1-Methyl-4-nitro-1,2-phenylenediamine;SCHEMBL211286;2-methyl-amino-5-nitroaniline;2-methylamino-5-nitro-aniline;2-amino-4-nitro-N-methylaniline;DTXSID40392330;N-Methyl-2-amino-4-nitroaniline;MNIKERWISBANET-UHFFFAOYSA-N;N'-Methyl-2-amino-4-nitroaniline;BCP08814;AB3980;BBL000392;STK507091;N1-Methyl-4-nitro-o-phenylenediamine;2-Amino-1-methylamino-4-nitrobenzene;AKOS000114116;AKOS015941272;N-Methyl-4-nitro-1,2-benzenediamine;1,2-Diamino-N1-methyl-4-nitrobenzene;CS-W022917;LC-0716;N-1-Methyl-4-nitrobenzene-1,2-diamine;AC-22356;SY027378;1,2-Benzenediamine, N1-methyl-4-nitro-;AM20090664;BB 0218054;FT-0646213;M2523;EN300-42271;A825699;J-523397;Z425800964

Chemical Property of N1-Methyl-4-nitrobenzene-1,2-diamine

Chemical Property:

• Appearance/Colour: Red powder
• Vapor Pressure: 1.43E-05mmHg at 25°C
• Melting Point: 174-176 °C
• Refractive Index: 1.682
• Boiling Point: 366.8 °C at 760 mmHg
• PKA: 4.23±0.10(Predicted)
• Flash Point: 175.6 °C
• PSA: 83.87000
• Density: 1.359 g/cm³
• LogP: 2.39610
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 167.069476538
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

N’-Methyl-4-nitrophenylene-1,2-diamine ^*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)[N+](=O)[O-])N
• Uses: N’-Methyl-4-nitrophenylene-1,2-diamine (cas# 41939-61-1) is a compound useful in organic synthesis.

Technology Process of N1-Methyl-4-nitrobenzene-1,2-diamine

There total 12 articles about N1-Methyl-4-nitrobenzene-1,2-diamine 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: 99.0%

N-methyl-2,4-dinitroaniline (2044-88-4) → N1-methyl-4-nitrobenzene-1,2-diamine (41939-61-1)

Guidance literature:

With formic acid; triethylamine; In acetonitrile; for 3h; Heating;

DOI:10.1039/b707599e

Reference yield: 94.4%

sodium sulfide (1313-82-2) + N-methyl-2,4-dinitroaniline (2044-88-4) → N1-methyl-4-nitrobenzene-1,2-diamine (41939-61-1)

Guidance literature:

With sodium hydroxide; sodium bicarbonate; In methanol; water;

Reference yield: 92.0%

2-(N,N-dimethylamino)ethanol (108-01-0) + methylamine (74-89-5) → N1-methyl-4-nitrobenzene-1,2-diamine (41939-61-1)

Guidance literature:

2-(N,N-dimethylamino)ethanol; methylamine; In DMF (N,N-dimethyl-formamide); water; at 90 ℃; for 3h;

With sodium hydrogencarbonate; In DMF (N,N-dimethyl-formamide); water; ethyl acetate;

upstream raw materials:

N-methyl-2,4-dinitroaniline

H₂NC₆H₃(Cl)NO₂

methylamine

6-fluoro-3-nitroaniline

Downstream raw materials:

acetic acid-(2-methylamino-5-nitro-anilide)

5-amino-2-(4-aminophenyl)-1-methylbenzimidazole

1-methyl-5-nitro-2-(4-nitrophenyl)-1H-benzo[d]imidazole

N,N-diethyl-4-(1-methyl-5-nitro-1H-benzoimidazol-2-yl)-aniline