3-Chloro-2,6-dinitrotoluene

Base Information

• Chemical Name: 3-Chloro-2,6-dinitrotoluene
• CAS No.: 79913-56-7
• Molecular Formula: C₇H₅ClN₂O₄
• Molecular Weight: 216.581
• European Community (EC) Number: 830-485-1
• Mol file: 79913-56-7.mol

Synonyms:3-chloro-2,6-dinitrotoluene;1-chloro-3-methyl-2,4-dinitrobenzene;79913-56-7;SCHEMBL2002527;NKYUYBKDVYCJMW-UHFFFAOYSA-N;AKOS038557148;EN300-6494663

Chemical Property of 3-Chloro-2,6-dinitrotoluene

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 215.9937843
• Heavy Atom Count: 14
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Chloro-2,6-dinitrotoluene

There total 12 articles about 3-Chloro-2,6-dinitrotoluene 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:

3-methyl-2,4-dinitroaniline (10202-92-3) → 3-chloro-2,6-dinitrotoluene (79913-56-7)

Guidance literature:

With dinitrogen trioxide; nitric acid; Behandeln des entstandenen Diazoniumnitrats mit CuCl₂;

Reference yield:

tert.-butylnitrite (540-80-7) + 3-methyl-2,4-dinitroaniline (10202-92-3) + copper(II) chloride (7447-39-4) → 3-chloro-2,6-dinitrotoluene (79913-56-7)

Guidance literature:

In acetonitrile;

Reference yield:

2-chloro-4-methyl-3,5-dinitro-aniline (876494-93-8) → 3-chloro-2,6-dinitrotoluene (79913-56-7)

Guidance literature:

With ethyl nitrite; at 20 ℃;

upstream raw materials:

3-methyl-2,4-dinitroaniline

2-chloro-4-methyl-3,5-dinitro-aniline

1-chloro-3-methylbenzene

sulfuric acid

Downstream raw materials:

1-(3-methyl-2,4-dinitro-phenyl)-piperidine

3-methyl-2,4-dinitrophenyl phenyl sulfone

4-chloro-2-methyl-3-nitro-aniline

methyl 2-(4-(4-(2,4-dichlorophenylsulfonamido)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazol-5-yloxy)-3-methoxyphenyl)acetate