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4-Benzoylisophthalic acid

Base Information Edit
  • Chemical Name:4-Benzoylisophthalic acid
  • CAS No.:40786-99-0
  • Molecular Formula:C15H10O5
  • Molecular Weight:270.241
  • Hs Code.:2918300090
  • NSC Number:81620
  • DSSTox Substance ID:DTXSID70292314
  • Nikkaji Number:J39.683D
  • Wikidata:Q82030573
  • ChEMBL ID:CHEMBL1742316
  • Mol file:40786-99-0.mol
4-Benzoylisophthalic acid

Synonyms:4-benzoylisophthalic acid;40786-99-0;NSC81620;NSC-81620;2,4-dicarboxybenzophenone;NCIStruc1_000438;NCIStruc2_000570;SCHEMBL370129;CHEMBL1742316;DTXSID70292314;NCI81620;CCG-36347;NCGC00013860;NCGC00013860-02;NCGC00096970-01;NCI60_041789

Suppliers and Price of 4-Benzoylisophthalic acid
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
Total 5 raw suppliers
Chemical Property of 4-Benzoylisophthalic acid Edit
Chemical Property:
  • Vapor Pressure:4.56E-13mmHg at 25°C 
  • Boiling Point:553.1°Cat760mmHg 
  • Flash Point:302.3°C 
  • PSA:91.67000 
  • Density:1.403g/cm3 
  • LogP:2.31400 
  • XLogP3:1.9
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:4
  • Exact Mass:270.05282342
  • Heavy Atom Count:20
  • Complexity:397
Purity/Quality:

99% *data from raw suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)C(=O)O)C(=O)O
Technology Process of 4-Benzoylisophthalic acid

There total 8 articles about 4-Benzoylisophthalic 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:
Guidance literature:
With potassium permanganate; In water; tert-butyl alcohol; for 5h; Heating;
DOI:10.1021/jo00350a052
Guidance literature:
With nitric acid; at 190 ℃;
Guidance literature:
With pyridine; at 150 ℃; im Rohr; Erhitzen des entstandenen Nitrils mit verd. Salpetersaeure im Rohr auf 200grad;
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