1,2,3,5-Benzene-tetracarboxylic acid

Base Information

• Chemical Name: 1,2,3,5-Benzene-tetracarboxylic acid
• CAS No.: 479-47-0
• Molecular Formula: C10H6O8
• Molecular Weight: 254.153
• DSSTox Substance ID: DTXSID00197323
• Nikkaji Number: J36.633A
• Wikidata: Q60818055
• Mol file: 479-47-0.mol

Synonyms:prehnitic acid;1,2,3,5-Benzene-tetracarboxylic acid;479-47-0;benzene-1,2,3,5-tetracarboxylic acid;Mellanophanic acid;SCHEMBL23503;DTXSID00197323;Q60818055

Chemical Property of 1,2,3,5-Benzene-tetracarboxylic acid

Chemical Property:

• Vapor Pressure: 1.76E-15mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 604.8°Cat760mmHg
• PKA: pK1: 2.38;pK2: 3.51;pK3: 4.44;pK4: 5.81 (25°C)
• Flash Point: 333.6°C
• PSA: 149.20000
• Density: 1.821g/cm³
• LogP: 0.47940
• XLogP3: 0
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 254.00626715
• Heavy Atom Count: 18
• Complexity: 377

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O

Technology Process of 1,2,3,5-Benzene-tetracarboxylic acid

There total 23 articles about 1,2,3,5-Benzene-tetracarboxylic 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: 65.0%

1,2,3,5-Tetramethylbenzene (527-53-7) → benzene-1,2,3,5-tetracarboxylic acid (479-47-0)

Guidance literature:

With cerium(III) chloride; 1,1,1-trichloroethanol; oxygen; In acetonitrile; at 60 ℃; Irradiation;

DOI:10.1007/s11426-021-1032-7

Reference yield:

mesitylenecarboxylic acid (480-63-7) → benzene-1,2,3,5-tetracarboxylic acid (479-47-0)

Guidance literature:

With nitric acid; at 170 - 180 ℃; im Rohr;

Reference yield:

ethylmesitylene (3982-67-0) → benzene-1,2,3,5-tetracarboxylic acid (479-47-0)

Guidance literature:

With alkaline aqueous potassium permanganate;

DOI:10.1021/ja01871a018

upstream raw materials:

3,5-dimethyl-phthalic acid anhydride

2,4,6-trimethylbenzyl alcohol

mesitylenecarboxylic acid

ethylmesitylene

Refernces