Cas no 627889-76-3 (2-(3,4-dimethylphenyl)cyclohexa-2,5-diene-1,4-dione)

2-(3,4-Dimethylphenyl)cyclohexa-2,5-diene-1,4-dione is a substituted quinone derivative with potential applications in organic synthesis and materials science. Its structure, featuring a cyclohexadiene-1,4-dione core functionalized with a 3,4-dimethylphenyl group, confers reactivity typical of quinones, including redox activity and participation in Diels-Alder reactions. The dimethylphenyl substituent enhances steric and electronic properties, influencing solubility and stability. This compound may serve as an intermediate in the synthesis of pharmaceuticals, dyes, or functional materials. Its well-defined molecular architecture allows for precise modifications, making it valuable for research in catalysis, polymer chemistry, and electroactive systems. Handling requires standard precautions for quinone-based compounds due to potential sensitivity to light and air.
2-(3,4-dimethylphenyl)cyclohexa-2,5-diene-1,4-dione structure
627889-76-3 structure
Product Name:2-(3,4-dimethylphenyl)cyclohexa-2,5-diene-1,4-dione
CAS No:627889-76-3
MF:C14H12O2
MW:212.243884086609
CID:1018430
PubChem ID:757405
Update Time:2025-08-05

2-(3,4-dimethylphenyl)cyclohexa-2,5-diene-1,4-dione Chemical and Physical Properties

Names and Identifiers

    • 2,5-Cyclohexadiene-1,4-dione, 2-(3,4-dimethylphenyl)- (9CI)
    • 2-(3,4-dimethylphenyl)cyclohexa-2,5-diene-1,4-dione
    • BDBM50545369
    • 627889-76-3
    • STK338158
    • AP-845/42031890
    • 3',4'-dimethyl-[1,1'-biphenyl]-2,5-dione
    • 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-(3,4-DIMETHYLPHENYL)-
    • CHEMBL4637825
    • CS-0331557
    • HMS1429L14
    • IDI1_019280
    • IFLab1_006240
    • SR-01000086383-1
    • DB-280909
    • Z57454760
    • 2-(3,4-dimethylphenyl)benzo-1,4-quinone
    • IFLab2_000254
    • SR-01000086383
    • AKOS001116075
    • F1589-0068
    • Inchi： 1S/C14H12O2/c1-9-3-4-11(7-10(9)2)13-8-12(15)5-6-14(13)16/h3-8H,1-2H3
    • InChI Key： CNTZMEBRQGEJNE-UHFFFAOYSA-N
    • SMILES： O=C1C=CC(C=C1C1C=CC(C)=C(C)C=1)=O

Computed Properties

  • Exact Mass: 212.083729621g/mol
  • Monoisotopic Mass: 212.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 376
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 34.1?2

2-(3,4-dimethylphenyl)cyclohexa-2,5-diene-1,4-dione Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Life Chemicals
F1589-0068-2μmol
2-(3,4-dimethylphenyl)cyclohexa-2,5-diene-1,4-dione
 627889-76-3 90%+
2μmol
 $57.0 2023-07-28
Life Chemicals
F1589-0068-1mg
2-(3,4-dimethylphenyl)cyclohexa-2,5-diene-1,4-dione
 627889-76-3 90%+
1mg
 $54.0 2023-07-28
Life Chemicals
F1589-0068-2mg
2-(3,4-dimethylphenyl)cyclohexa-2,5-diene-1,4-dione
 627889-76-3 90%+
2mg
 $59.0 2023-07-28
Life Chemicals
F1589-0068-3mg
2-(3,4-dimethylphenyl)cyclohexa-2,5-diene-1,4-dione
 627889-76-3 90%+
3mg
 $63.0 2023-07-28

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