2,4-Diamino-6-nitrotoluene

Base Information

• Chemical Name: 2,4-Diamino-6-nitrotoluene
• CAS No.: 6629-29-4
• Molecular Formula: C7H9 N3 O2
• Molecular Weight: 167.167
• Hs Code.: 2921519090
• NSC Number: 58161,58082
• UNII: DQJ5EX5KMD
• DSSTox Substance ID: DTXSID10216498
• Nikkaji Number: J499.320I
• Wikidata: Q27109172
• Mol file: 6629-29-4.mol

Synonyms:2,4-diamino-6-nitrotoluene

Chemical Property of 2,4-Diamino-6-nitrotoluene

Chemical Property:

• Vapor Pressure: 2.53E-12mmHg at 25°C
• Melting Point: 135 °C
• Boiling Point: 536.1°C at 760 mmHg
• PKA: 3.23±0.10(Predicted)
• Flash Point: 278°C
• PSA: 97.86000
• Density: 1.367g/cm³
• LogP: 2.75320
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.6
• 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:

97% ^*data from raw suppliers

4-Methyl-5-nitrobenzene-1,3-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])N)N

Technology Process of 2,4-Diamino-6-nitrotoluene

There total 12 articles about 2,4-Diamino-6-nitrotoluene 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: 37.6%

2,4,6-Trinitrotoluene (118-96-7) → 2-amino-4,6-dinitrotoluene (35572-78-2) + 4-Amino-2,6-dinitrotoluene (19406-51-0,153919-64-3) + 2,6-diamino-4-nitrotoluene (59229-75-3) + 2,4-diamino-6-dinitrotoluene (6629-29-4)

Guidance literature:

With baker's yeast; In ethanol; water; at 32 ℃; Microbiological reaction;

DOI:10.1002/jlcr.556

Reference yield:

2,4,6-Trinitrotoluene (118-96-7) → 2,4-diamino-6-dinitrotoluene (6629-29-4) + 2,4,6-triaminotoluene (88-02-8)

Guidance literature:

With hydrogen; platinum on silica; In isopropyl alcohol; Title compound not separated from byproducts;

DOI:10.1007/s10631-005-0048-8

Reference yield:

2,4,6-Trinitrotoluene (118-96-7) → 2,4-diamino-6-nitrosotoluene (883883-48-5) + 2-amino-4-hydroxylamino-6-nitrotoluene + 2,4-diamino-6-dinitrotoluene (6629-29-4) + 2-hydroxylamino-4-amino-6-nitrotoluene

Guidance literature:

With hydrogen; platinum on silica; In isopropyl alcohol; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1007/s10631-005-0048-8

upstream raw materials:

2,4,6-Trinitrotoluene

2-amino-4,6-dinitrotoluene

piperidine

pyridine

Downstream raw materials:

2-nitro-4,6-dichloro-toluene

4-N-acetylamino-2-amino-6-nitrotoluene

4-acetylamino-2-nitrotoluene

4-Methyl-3-nitroanilin