2-Chloro-4-methyl-3,5-dinitrobenzoic acid

Base Information

• Chemical Name: 2-Chloro-4-methyl-3,5-dinitrobenzoic acid
• CAS No.: 200265-71-0
• Molecular Formula: C8H5ClN2O6
• Molecular Weight: 260.5881
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID701273083
• Mol file: 200265-71-0.mol

Synonyms:2-Chloro-4-methyl-3,5-dinitrobenzoic acid;200265-71-0;DTXSID701273083;AKOS022186896

Chemical Property of 2-Chloro-4-methyl-3,5-dinitrobenzoic acid

Chemical Property:

• Melting Point: 235-237 °C
• Boiling Point: 414.2±45.0 °C(Predicted)
• PKA: 1.73±0.12(Predicted)
• PSA: 128.94000
• Density: 1.693±0.06 g/cm3(Predicted)
• LogP: 3.20940
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 259.9836136
• Heavy Atom Count: 17
• Complexity: 351

Purity/Quality:

≥99% ^*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-])Cl)C(=O)O)[N+](=O)[O-]

Technology Process of 2-Chloro-4-methyl-3,5-dinitrobenzoic acid

There total 7 articles about 2-Chloro-4-methyl-3,5-dinitrobenzoic acid 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: 89.0%

2-chloro-4-methyl-5-nitro-benzonitrile (200265-68-5) → 2-chloro-4-methyl-3,5-dinitro-benzoic acid (200265-71-0)

Guidance literature:

With sulfuric acid; nitric acid; at 110 ℃; for 0.5h;

DOI:10.1080/00304949709355253

Reference yield:

2-chloro-4-methylbenzoic acid (7697-25-8) → 2-chloro-4-methyl-3,5-dinitro-benzoic acid (200265-71-0)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

2-chloro-4-methylbenzonitrile (21423-84-7) → 2-chloro-4-methyl-3,5-dinitro-benzoic acid (200265-71-0)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1039/jr9350000068

upstream raw materials:

2-chloro-4-methylbenzoic acid

2-chloro-4-methylbenzonitrile

2-chloro-4-methyl-5-nitro-benzonitrile

2-chloro-4-methyl-5-nitrobenzoic acid

Downstream raw materials:

2-chloro-4-methyl-3,5-dinitro-benzoyl chloride

2-Chloro-3,5-dinitro-4-methylbenzonitrile

2-Chloro-3,5-dinitro-4-methylbenzamide

2-amino-4-methyl-3,5-dinitro-benzophenone