6-Methyl-2,3-dinitroaniline

Base Information

• Chemical Name: 6-Methyl-2,3-dinitroaniline
• CAS No.: 3484-29-5
• Molecular Formula: C7H7N3O4
• Molecular Weight: 197.15
• European Community (EC) Number: 667-711-1
• DSSTox Substance ID: DTXSID10408876
• Nikkaji Number: J2.824.384G
• Wikidata: Q82214495
• Mol file: 3484-29-5.mol

Synonyms:6-methyl-2,3-dinitroaniline;3484-29-5;Benzenamine, 6-methyl-2,3-dinitro-;2-aminodinitrotoluene;SCHEMBL938650;DTXSID10408876;AKOS024338333

Chemical Property of 6-Methyl-2,3-dinitroaniline

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 197.04365571
• Heavy Atom Count: 14
• Complexity: 246

Purity/Quality:

95% ^*data from raw 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+](=O)[O-])N

Technology Process of 6-Methyl-2,3-dinitroaniline

There total 2 articles about 6-Methyl-2,3-dinitroaniline 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:

N-(2-methyl-5-nitrophenyl)acetamide (2879-79-0) → 2,3-dinitro-6-methylaniline (3484-29-5) + 3,4-dinitro-6-methylaniline (70343-04-3)

Guidance literature:

With sulfuric acid; nitric acid; Erhitzen des Reaktionsprodukts mit verd.Schwefelsaeure;

Reference yield:

N-(2-methyl-5-nitrophenyl)acetamide (2879-79-0) → 2,3-dinitro-6-methylaniline (3484-29-5)

Guidance literature:

Multistep reaction; (i) HNO₃, H₂SO₄, (ii) aq. H₂SO₄;

DOI:10.1021/jo01328a037

Reference yield:

2,3-dinitro-6-methylaniline (3484-29-5) → 3,4-Dinitrotoluene (610-39-9)

Guidance literature:

With ethanol; sulfuric acid; sodium nitrite;

upstream raw materials:

N-(2-methyl-5-nitrophenyl)acetamide

Downstream raw materials:

2,3,4-trinitrotoluene

3,4-Dinitrotoluene

2,3-dichloro-4-nitro-toluene

2-chloro-3,4-dinitro-toluene

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