2-Methyl-5-nitrobenzene-1,4-diamine

Base Information

• Chemical Name: 2-Methyl-5-nitrobenzene-1,4-diamine
• CAS No.: 25917-89-9
• Molecular Formula: C7H9N3O2
• Molecular Weight: 167.167
• Hs Code.: 2921519090
• UNII: Y52VV9CT2B
• DSSTox Substance ID: DTXSID80180591
• Nikkaji Number: J88.406E
• Wikidata: Q72440030
• Mol file: 25917-89-9.mol

Synonyms:2-methyl-5-nitrobenzene-1,4-diamine;25917-89-9;4-Amino-3-nitro-6-methylaniline;2-Methyl-5-nitro-1,4-benzenediamine;1,4-Benzenediamine, 2-methyl-5-nitro-;BRN 3530535;2-Methyl-5-nitro-1,4-phenylene diamine;CCRIS 8113;3-13-00-00290 (Beilstein Handbook Reference);SCHEMBL9652342;2-methyl-4-amino-5-nitroaniline;3-nitro-4-amino-6-methylaniline;DTXSID80180591;PJRDJHIRYREDHP-UHFFFAOYSA-N;4-methyl-2,5-diamino-nitrobenzene;AKOS006276251;LS-29620;FT-0658726;A818076

Chemical Property of 2-Methyl-5-nitrobenzene-1,4-diamine

Chemical Property:

• Appearance/Colour: red crystalline powder
• Vapor Pressure: 1.43E-06mmHg at 25°C
• Refractive Index: 1.679
• Boiling Point: 398.896 °C at 760 mmHg
• PKA: 4.23±0.10(Predicted)
• Flash Point: 195.046 °C
• PSA: 97.86000
• Density: 1.369 g/cm³
• LogP: 2.75320
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 167.069476538
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

98%min ^*data from raw suppliers

2-Methyl-5-nitrobenzene-1,4-diamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N)[N+](=O)[O-])N

Technology Process of 2-Methyl-5-nitrobenzene-1,4-diamine

There total 4 articles about 2-Methyl-5-nitrobenzene-1,4-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:

→ 4-amino-3-nitro-6-methylaniline (25917-89-9)

Guidance literature:

With hydrogenchloride;

Reference yield:

N-(4-Amino-3-methyl-phenyl)-acetamide (6375-20-8) → 4-amino-3-nitro-6-methylaniline (25917-89-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid

2: methanol

With methanol; sulfuric acid; nitric acid;

Reference yield:

5-amino-2,4-dinitrotoluene (5267-27-6) → 4-methyl-5-nitrobenzene-1,2-diamine (65958-37-4) + 4-amino-3-nitro-6-methylaniline (25917-89-9)

Guidance literature:

With pyridine; diammonium sulfide; ethanol;

upstream raw materials:

5-amino-2,4-dinitrotoluene

acetic acid-(4-amino-5-methyl-2-nitro-anilide)

sodium methylate

N-(4-Amino-3-methyl-phenyl)-acetamide

Downstream raw materials:

β-chloroethyl N-(2-methyl-4-amino-5-nitrophenyl)-carbamate

3-nitro-4-amino-6-methyl-N-(γ-hydroxypropyl)-aniline

N-(4-amino-2-methyl-5-nitrophenyl)-4-methylbenzenesulphonamide

acetic acid-(2-amino-5-methyl-anilide)