4,5-Dinitrophthalic acid

Base Information

• Chemical Name: 4,5-Dinitrophthalic acid
• CAS No.: 90348-28-0
• Molecular Formula: C₈H₄N₂O₈
• Molecular Weight: 256.128
• DSSTox Substance ID: DTXSID20604069
• Wikidata: Q82501784
• Mol file: 90348-28-0.mol

Synonyms:4,5-DINITROPHTHALIC ACID;90348-28-0;1,2-Benzenedicarboxylicacid, 4,5-dinitro-;4,5-Dinitro isophthalic acid;SCHEMBL772640;DTXSID20604069;MFCD03840788;AKOS015960885;SY332475;4,5-dinitrobenzene-1,2-dicarboxylic acid

Chemical Property of 4,5-Dinitrophthalic acid

Chemical Property:

• Vapor Pressure: 5.63E-13mmHg at 25°C
• Refractive Index: 1.696
• Boiling Point: 551°C at 760 mmHg
• Flash Point: 243.3°C
• PSA: 166.24000
• Density: 1.853g/cm³
• LogP: 1.94580
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 255.99676509
• Heavy Atom Count: 18
• Complexity: 359

Purity/Quality:

98%Min ^*data from raw suppliers

4,5-DINITRO ISOPHTHALIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,5-Dinitrophthalic acid

There total 2 articles about 4,5-Dinitrophthalic 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:

2-methyl-4,5-dinitro-benzoic acid (101084-64-4) → 4,5-dinitrophthalic acid (90348-28-0)

Guidance literature:

With nitric acid;

DOI:10.1002/hlca.19520350506

Reference yield:

4,5-dimethyl-1,2-dinitrobenzene (610-23-1) → 4,5-dinitrophthalic acid (90348-28-0)

Guidance literature:

With nitric acid;

DOI:10.1002/hlca.19520350506

Reference yield:

4,5-dinitrophthalic acid (90348-28-0) → 1,2-bis(trifluoromethyl)-4,5-dinitrobenzene (30454-91-2) + 4,5-dinitro-1,1,3,3-tetrafluoro-1,3-dihydroisobenzofuran

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; at 180 ℃; for 20h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0022-1139(00)80485-6

upstream raw materials:

4,5-dimethyl-1,2-dinitrobenzene

2-methyl-4,5-dinitro-benzoic acid

Downstream raw materials:

4-methoxy-5-nitro-phthalic acid

4-amino-5-nitrophthalic acid

5-nitro-4-hydroxyphthalic acid

4-Hydroxylamino-5-nitro-phthalsaeure

Refernces