Benzenepentacarboxylic acid

Base Information

• Chemical Name: Benzenepentacarboxylic acid
• CAS No.: 1585-40-6
• Molecular Formula: C11H6 O10
• Molecular Weight: 298.163
• Hs Code.: 2917399090
• European Community (EC) Number: 216-441-9
• NSC Number: 12096
• UNII: 1XI0AN8BWS
• DSSTox Substance ID: DTXSID80166436
• Nikkaji Number: J138.258F
• Wikidata: Q60733638
• ChEMBL ID: CHEMBL1922186
• Mol file: 1585-40-6.mol

Synonyms:benzenepentacarboxylate;benzenepentacarboxylate, pentasodium salt

Chemical Property of Benzenepentacarboxylic acid

Chemical Property:

• Melting Point: 222-227 °C (decomp)
• Refractive Index: 1.7330 (estimate)
• Boiling Point: 642.3°Cat760mmHg
• PKA: pK1: 1.80;pK2: 2.73;pK3: 3.96;pK4: 5.25;pK5: 6.46 (25°C)
• Flash Point: 356.3°C
• PSA: 186.50000
• Density: 1.96g/cm³
• LogP: 0.17760
• Water Solubility.: almost transparency
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 297.99609638
• Heavy Atom Count: 21
• Complexity: 471

Purity/Quality:

99% ^*data from raw suppliers

BENZENEPENTACARBOXYLIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzoic Acid Derivatives
• Canonical SMILES: C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Technology Process of Benzenepentacarboxylic acid

There total 37 articles about Benzenepentacarboxylic 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: 69.0%

pentamethylbenzene, (700-12-9) → benzenepentacarboxylic acid (1585-40-6)

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:

sulfuric acid (7664-93-9) + 3-p-menthene (500-00-5) → terephthalic acid (100-21-0) + benzenepentacarboxylic acid (1585-40-6)

Guidance literature:

partial inactivated dextrorotatory menthenesubstances;

Reference yield:

sulfuric acid (7664-93-9) + 4-isopropyl-1,6-dimethyl-1,2,4a,7,8,8a-hexahydro-naphthalene (14087-00-4) → 1,2,4-benzene tricarboxylic acid (528-44-9) + benzenepentacarboxylic acid (1585-40-6)

Guidance literature:

l-cadinene;

upstream raw materials:

pentamethylbenzene,

diacetylmesitylene

abietic acid

1-(2,2-diethyl-4,7-dimethyl-indan-5-yl)-ethanone

Downstream raw materials:

pentakis(carbomethoxy)benzene

cyclohexadienyl-1,2,3,4,5-pentacarboxylate radical

1,2,3,5,6-benzenepentacarbonitrile

hydroxybenzenepentacarboxylic acid

Refernces

• 1、 Barnes. "". . p. 815. Retrieved 1965.
• 2、 Heilbron,Simpson. "". . p. 2400,2403. Retrieved 1932.
• 3、 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.