2-Chloro-4-methyl-1,3,5-trinitrobenzene

Base Information

• Chemical Name: 2-Chloro-4-methyl-1,3,5-trinitrobenzene
• CAS No.: 1084-17-9
• Molecular Formula: C7H4ClN3O6
• Molecular Weight: 261.578
• NSC Number: 62427
• DSSTox Substance ID: DTXSID30289624
• Wikidata: Q82027008
• Mol file: 1084-17-9.mol

Synonyms:2-chloro-4-methyl-1,3,5-trinitrobenzene;1084-17-9;NSC62427;2,4,6-trinitro-3-chlorotoluene;DTXSID30289624;NSC-62427;AKOS003239262;AJ-333/36117006

Chemical Property of 2-Chloro-4-methyl-1,3,5-trinitrobenzene

Chemical Property:

• Vapor Pressure: 2.39E-05mmHg at 25°C
• Boiling Point: 370.3°Cat760mmHg
• Flash Point: 177.7°C
• Density: 1.707g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 260.9788625
• Heavy Atom Count: 17
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Chloro-4-methyl-1,3,5-trinitrobenzene

There total 4 articles about 2-Chloro-4-methyl-1,3,5-trinitrobenzene 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:

1-chloro-5-methyl-2,4-dinitrobenzene (51676-74-5) → 1-chloro-3-methyl-2,4,6-trinitrobenzene (1084-17-9)

Guidance literature:

With sulfuric acid; nitric acid; at 150 - 175 ℃;

Reference yield:

1-chloro-3-methylbenzene (108-41-8) → 1-chloro-3-methyl-2,4,6-trinitrobenzene (1084-17-9)

Guidance literature:

With sulfuric acid; nitric acid; at 160 ℃;

Reference yield:

3-methyl-2,4,6-trinitrophenol (602-99-3) + Toluene-2-sulfonyl chloride (133-59-5) → 1-chloro-3-methyl-2,4,6-trinitrobenzene (1084-17-9)

Guidance literature:

With nitrobenzene; N,N-diethylaniline;

upstream raw materials:

1-chloro-3-methylbenzene

1-chloro-5-methyl-2,4-dinitrobenzene

3-methyl-2,4,6-trinitrophenol

Toluene-2-sulfonyl chloride

Downstream raw materials:

N-(3-methyl-2,4,6-trinitro-phenyl)-N'-phenyl-hydrazine

5-(4-methoxy-benzylidene)-3-(3-methyl-2,4,6-trinitro-phenyl)-2-thioxo-thiazolidin-4-one

2,4,6-Trinitro-2'-amino-5-methyl-diphenylamin

2-(4-Chloro-phenylsulfanyl)-4-methyl-1,3,5-trinitro-benzene