1,2,4-Benzenetricarboxylic acid

Base Information

• Chemical Name: 1,2,4-Benzenetricarboxylic acid
• CAS No.: 528-44-9
• Molecular Formula: C9H6O6
• Molecular Weight: 210.143
• Hs Code.: 2917399090
• European Community (EC) Number: 208-432-3
• NSC Number: 72986
• UNII: 7NVY29MQ5F
• DSSTox Substance ID: DTXSID3021487
• Nikkaji Number: J6.674E
• Wikipedia: Trimellitic_acid
• Wikidata: Q2001805
• Metabolomics Workbench ID: 66909
• ChEMBL ID: CHEMBL296024
• Mol file: 528-44-9.mol

Synonyms:1,2,4-tricarboxybenzene;trimellitic acid;trimellitic acid, cobalt (+2) salt (1:1);trimellitic acid, copper salt

Chemical Property of 1,2,4-Benzenetricarboxylic acid

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 4.85E-11mmHg at 25°C
• Melting Point: 229-231 °C
• Boiling Point: 505.51 °C at 760 mmHg
• Flash Point: 273.614 °C
• PSA: 111.90000
• Density: 1.654 g/cm³
• LogP: 0.78120
• Water Solubility.: 2.1 g/100 mL (25℃)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 210.01643791
• Heavy Atom Count: 15
• Complexity: 297

Purity/Quality:

≥99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S37/39:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

Technology Process of 1,2,4-Benzenetricarboxylic acid

There total 141 articles about 1,2,4-Benzenetricarboxylic 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: 88.3%

1,2,4-Trimethylbenzene (95-63-6) → isophthalic acid (121-91-5) + terephthalic acid (100-21-0) + 1,2,4-benzene tricarboxylic acid (528-44-9)

Guidance literature:

With oxygen; titanium(IV) isopropylate; tetrabutoxytitanium; manganese(II) acetate; cobalt(II) acetate; ammonium bromide; cerous nitrate; In water; acetic acid; at 150 - 225 ℃; for 1.2 - 1.25h; under 5250.53 - 18751.9 Torr; Product distribution / selectivity;

Reference yield: 50.0%

1,2,4-Trimethylbenzene (95-63-6) → isophthalic acid (121-91-5) + terephthalic acid (100-21-0) + 1,2,4-benzene tricarboxylic acid (528-44-9) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5)

Guidance literature:

With sodium hydroxide; water; dihydrogen peroxide; manganese(II) bromide; at 380 ℃; under 172517 Torr;

DOI:10.1002/adsc.200303218

Reference yield:

2,4 dichlorobenzoic acid (50-84-0) + carbon monoxide (201230-82-2) → 4-chlorophthalic acid (89-20-3) + terephthalic acid (100-21-0) + 1,2,4-benzene tricarboxylic acid (528-44-9) + 2-chloroterephthalic acid (1967-31-3) + para-chlorobenzoic acid (74-11-3)

Guidance literature:

With sodium hydroxide; dicobalt octacarbonyl; In water; at 65 ℃; for 6h; under 1471.02 Torr; Product distribution; Irradiation;

DOI:10.1246/cl.1986.299

upstream raw materials:

2,4-dimethylbenzaldehyde

methyl coumalate

acetylenedicarboxylic acid diethyl ester

1,2,4-Trimethylbenzene

Downstream raw materials:

benzene-1,2,4-tricarboxylic acid trimethyl ester

4-methoxycarbonylphthalic anhydride

benzene-1,2,4-tricarboxylic acid-4-methyl ester

benzene-1,2,4-tricarboxylic acid-1,4-dimethyl ester

Refernces

Syntheses, crystal structure, and luminescence properties of three new Cd(II) polymers based on different conformational carboxylates

10.1016/j.molstruc.2010.12.006

The research focuses on the synthesis, crystal structure, and luminescence properties of three new Cd(II) coordination polymers constructed using different carboxylate linkers and the pharmaceutical agent 1H-imidazo[4,5-f][1,10]-phenanthroline (IP). The chemicals that played a role in this research include benzene-1,2,4-tricarboxylic acid (H3L1), 2,2-bis(4-carboxyphenyl)hexafluoropropane (H2L2), 1,3-phenylenediacetic acid (H2L3), IP, and cadmium sulfate. By self-assembly of IP with cadmium sulfate in the presence of these different carboxylate linkers under mild conditions, three new coordination polymers with distinct structural characteristics were obtained. These polymers all exhibit 2D structural motifs, and the backbones of the carboxylates significantly influence the construction of the complexes. The study also investigates the thermal stabilities and solid-state luminescent properties of these crystalline materials, revealing that they possess high stabilities and intense fluorescent emissions, highlighting the importance of tuning the backbone of organic ligands in the crystal engineering of metal–organic frameworks.