Benzene-1,2,3-tricarboxylic acid

Base Information

• Chemical Name: Benzene-1,2,3-tricarboxylic acid
• CAS No.: 569-51-7
• Molecular Formula: C9H6O6
• Molecular Weight: 210.143
• Hs Code.: 2917399090
• European Community (EC) Number: 209-317-0
• NSC Number: 401092
• UNII: CKU8PTZ7M8
• DSSTox Substance ID: DTXSID901018142
• Nikkaji Number: J6.530G
• Wikipedia: Hemimellitic_acid
• Wikidata: Q27070757
• ChEMBL ID: CHEMBL1161013
• Mol file: 569-51-7.mol

Synonyms:1,2,3-benzenetricarboxylate;1,2,3-benzyltricarboxylate;benzene 1,2,3-tricarboxylic acid;benzene 1,2,3-tricarboxylic acid, copper salt

Chemical Property of Benzene-1,2,3-tricarboxylic acid

Chemical Property:

• Appearance/Colour: white to almost white crystalline powder
• Vapor Pressure: 1.81E-10mmHg at 25°C
• Melting Point: ~195 °C (dec.)
• Refractive Index: 1.662
• Boiling Point: 491.3 °C at 760 mmHg
• PKA: pK1: 2.88;pK2: 4.75;pK3: 7.13 (25°C)
• Flash Point: 265.1 °C
• PSA: 111.90000
• Density: 1.654 g/cm³
• LogP: 0.78120
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 30.6g/L(19 oC)
• 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: 275

Purity/Quality:

99% ^*data from raw suppliers

1,2,3-BenzenetricarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzoic Acid Derivatives
• Canonical SMILES: C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

Technology Process of Benzene-1,2,3-tricarboxylic acid

There total 67 articles about Benzene-1,2,3-tricarboxylic 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: 81.0%

1,2,3-trimethylbenzene (526-73-8) → benzene-1,2,3-tricarboxlic acid (569-51-7)

Guidance literature:

With air; acetic acid; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione; cobalt(II) acetate; zirconyl acetate; at 150 ℃; for 6h; under 15200 Torr;

DOI:10.1016/j.tet.2005.12.079

Reference yield: 42.0%

3-(ethoxymethyl)phthalic acid disodium salt → benzene-1,2,3-tricarboxlic acid (569-51-7)

Guidance literature:

With potassium permanganate; In water; at 20 ℃; for 18h;

Reference yield:

1,4,4-trimethylcycloheptane (2158-55-6) → terephthalic acid (100-21-0) + benzene-1,2,3-tricarboxlic acid (569-51-7)

Guidance literature:

at 390 - 400 ℃; anschliessende Oxydation mit KMnO₄ in wss.-alkal. Loesung;

DOI:10.1002/hlca.19360190168

upstream raw materials:

1,8-Naphthalic anhydride

1,6-dimethylnaphthalene

1,2,3-trimethylbenzene

fluoranthene

Downstream raw materials:

benzene-1,2,3-tricarboxylic acid trimethyl ester

benzene-1,2,3-tricarboxylic acid-1,3-dimethyl ester

5-nitro-1,2,3-benzenetricarboxylic acid

Chinizarin-5-carbonsaeure (5,8-Dihydroxy-anthrachinon-1-carbonsaeure)

Refernces

• 1、 Ruzicka,de Graaff,Mueller. "". . p. 1300,1303. Retrieved 1932.
• 2、 Wang, Chang-Cheng,Zhang, Guo-Xiang,Zuo, Zhi-Wei,Zeng, Rong,Zhai, Dan-Dan,Liu, Feng,Shi, Zhang-Jie. "Photo-induced deep aerobic oxidation of alkyl aromatics". . p. 1487 - 1492. Retrieved 2021/07/10.
• 3、 -. "AROMATIC COMPOUNDS FROM FURANICS". Page/Page column 37. . Retrieved 2017/09/21.