Cas no 116-90-5 ([4,4'-Bi-7H-benz[de]anthracene]-7,7'-dione)

[4,4'-Bi-7H-benz[de]anthracene]-7,7'-dione structure
116-90-5 structure
Product Name:[4,4'-Bi-7H-benz[de]anthracene]-7,7'-dione
CAS No:116-90-5
MF:C34H18O2
MW:458.505528926849
CID:144641
PubChem ID:61043
Update Time:2025-04-19

[4,4'-Bi-7H-benz[de]anthracene]-7,7'-dione Chemical and Physical Properties

Names and Identifiers

    • [4,4'-Bi-7H-benz[de]anthracene]-7,7'-dione
    • 4-(7-oxobenzo[a]phenalen-4-yl)benzo[a]phenalen-7-one
    • [4,4']Bi(benz[de]anthracenyl)-7,7'-dion
    • [4,4']bi[benz[de]anthracenyl]-7,7'-dione
    • [4,4'-bi-7H-benz(de)anthracene]-7,7'-dione
    • <2.2'>Bibenzanthronyl
    • 4,4'-bibenzanthronyl
    • 4,4'-Di-7H-benz(de)anthracen-7-one
    • 4,4'-Dibenzanthronil
    • 4,4'-Dibenzanthronyl
    • 7H-Benz(de)anthracen-7-one,4,4'-di
    • Benzanthronyl
    • Dibenzanthronyl-(2.2')
    • Dibenzonyl
    • EINECS 204-164-6
    • 4,4''-DIBENZANTHRONYL
    • 4,4'-Bi(7H-benz[de]anthracen-7-one)
    • W-109425
    • A7IH8DH3K5
    • 4-07-00-02746 (Beilstein Handbook Reference)
    • DTXSID6059441
    • NSC13989
    • WLN: L C6666 1A Q IVJ M- ML C6666 1A Q IVJ
    • 7H-Benz(de)anthracen-7-one, 4,4'-di-
    • [4,4/'-bi-7H-benz[de]anthracene]-7,7/'-dione
    • NS00023767
    • (4,4'-Bi-7H-benz(de)anthracene)-7,7'-dione
    • 4,4'-bibenzanthrone
    • NSC-13989
    • FEQOTXWZPMPKGW-UHFFFAOYSA-N
    • [4,7'-dione
    • UNII-A7IH8DH3K5
    • AKOS003620665
    • 7H-Benz[de]anthracen-7-one,4'-di-
    • 116-90-5
    • BRN 2024432
    • 4,4'-Di-7H-benz[de]anthracen-7-one
    • NSC 13989
    • Inchi： 1S/C34H18O2/c35-33-27-9-3-1-7-19(27)23-11-5-13-25-21(15-17-29(33)31(23)25)22-16-18-30-32-24(12-6-14-26(22)32)20-8-2-4-10-28(20)34(30)36/h1-18H
    • InChI Key： FEQOTXWZPMPKGW-UHFFFAOYSA-N
    • SMILES： O=C1C2C=CC=CC=2C2=CC=CC3C(=CC=C1C=32)C1=CC=C2C(C3C=CC=CC=3C3=CC=CC1=C32)=O

Computed Properties

  • Exact Mass: 458.13100
  • Monoisotopic Mass: 458.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 1
  • Complexity: 820
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 8.3
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • Density: 1.0924 (rough estimate)
  • Boiling Point: 524°C (rough estimate)
  • Refractive Index: 1.4875 (estimate)
  • PSA: 34.14000
  • LogP: 8.08280

[4,4'-Bi-7H-benz[de]anthracene]-7,7'-dione Customs Data

  • HS CODE：2914690090
  • Customs Data：

    China Customs Code:

    2914690090

    Overview:

    2914690090 Other Quinones. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Summary:

    2914690090 other quinones.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

[4,4'-Bi-7H-benz[de]anthracene]-7,7'-dione Related Literature

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