4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid

Base Information

• Chemical Name: 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid
• CAS No.: 342045-62-9
• Molecular Formula: C10H8 N2 O7
• Molecular Weight: 268.183
• DSSTox Substance ID: DTXSID00356559
• Wikidata: Q82135962
• Mol file: 342045-62-9.mol

Synonyms:342045-62-9;4-acetamido-6-nitrobenzene-1,3-dicarboxylic acid;4-(ACETYLAMINO)-6-NITRO-1,3-BENZENEDICARBOXYLIC ACID;4-(acetylamino)-6-nitroisophthalic acid;Oprea1_056532;DTXSID00356559;4-Acetamido-6-nitroisophthalic acid;Isoxazole, 5-(4-chlorophenyl)-3-methyl-;FT-0713863;AE-562/12222899

Chemical Property of 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 1.34E-14mmHg at 25°C
• Boiling Point: 586.5oC at 760 mmHg
• Flash Point: 308.5oC
• PSA: 149.52000
• Density: 1.682g/cm3
• LogP: 1.54580
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 268.03315060
• Heavy Atom Count: 19
• Complexity: 417

Purity/Quality:

98%min ^*data from raw suppliers

4-(ACETYLAMINO)-6-NITRO-1,3-BENZENEDICARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1C(=O)O)C(=O)O)[N+](=O)[O-]

Technology Process of 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic acid

There total 5 articles about 4-Acetamido-6-nitrobenzene-1,3-dicarboxylic 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:

N-(2.4-dimethyl-5-nitrophenyl)acetamide (62476-60-2) → 4-acetylamino-6-nitro-isophthalic acid (342045-62-9)

Guidance literature:

With potassium permanganate;

Reference yield:

N-(2,4-dimethyl-5-nitro-phenyl)-diacetamide → 4-acetylamino-6-nitro-isophthalic acid (342045-62-9)

Guidance literature:

With potassium permanganate;

Reference yield:

5-nitro-2,4-dimethylaniline (2124-47-2) → 4-acetylamino-6-nitro-isophthalic acid (342045-62-9)

Guidance literature:

Multi-step reaction with 2 steps

2: potassium permanganate

With potassium permanganate;

upstream raw materials:

N-(2.4-dimethyl-5-nitrophenyl)acetamide

ethanol

water

5-nitro-2,4-dimethylaniline

Downstream raw materials:

4-amino-2-nitrobenzoic acid

4-Nitroanthranilic acid

4-amino-6-nitro-isophthalic acid

m-phenylenediamine