Cas no 42286-46-4 (Benzoapyrene-4,5-quinone)

Benzoapyrene-4,5-quinone structure
Benzoapyrene-4,5-quinone structure
Product Name:Benzoapyrene-4,5-quinone
CAS No:42286-46-4
MF:C20H10O2
MW:282.29220533371
CID:331854
PubChem ID:39171
Update Time:2025-04-19

Benzoapyrene-4,5-quinone Chemical and Physical Properties

Names and Identifiers

    • Benzo[a]pyrene-4,5-dione
    • 4,5-BENZO(A)PYRENEQUINONE
    • 4,5-Dihydrobenzo<a>pyren-4,5-dion
    • Benzo<a>pyren-4,5-dion-6-T
    • pentacyclo[10.6.2.0?,?.0?,??.0??,??]icosa-1(18),2(7),3,5,8,12,14,16,19-nonaene-10,11-dione
    • HLCJPUJUJMVQRZ-UHFFFAOYSA-N
    • Benzo(a)pyrene 4,5-dione
    • 4-07-00-02683 (Beilstein Handbook Reference)
    • Benzo(a)pyrene-4,5-quinone
    • DTXSID10195118
    • BENZO(A)PYRENE-4,5-DIONE
    • BENZO[A]PYRENE 4,5-DIONE
    • BRN 1983029
    • 42286-46-4
    • Benzo[a]pyrene-4,5(4H,5H)-dione
    • Benzo[pqr]tetraphene-4,5-dione
    • AKOS015905834
    • benzo[a]pyrene-4,5-quinone
    • CCRIS 2131
    • Benzo(a)pyrene-4,5(4H,5H)-dione
    • DTXCID20117609
    • 4,5-Benzo[a]pyrenequinone; Benzo[pqr]tetraphene-4,5-dione;
    • Benzoapyrene-4,5-quinone
    • Inchi: 1S/C20H10O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10H
    • InChI Key: HLCJPUJUJMVQRZ-UHFFFAOYSA-N
    • SMILES: O=C1C(C2=CC=CC3=CC=C4C5C=CC=CC=5C=C1C4=C32)=O

Computed Properties

  • Exact Mass: 282.06800
  • Monoisotopic Mass: 282.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 0
  • Complexity: 510
  • 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
  • Topological Polar Surface Area: 34.1A^2
  • XLogP3: 4.7

Experimental Properties

  • Density: 1.439
  • Boiling Point: 554.9°Cat760mmHg
  • Flash Point: 245.3°C
  • Refractive Index: 1.849
  • Solubility: Chloroform (Slightly), Methanol (Slightly)
  • PSA: 34.14000
  • LogP: 3.89540

Benzoapyrene-4,5-quinone Security Information

  • Storage Condition:Refrigerator

Benzoapyrene-4,5-quinone Customs Data

  • HS CODE:2914399090
  • Customs Data:

    China Customs Code:

    2914399090

    Overview:

    2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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Benzoapyrene-4,5-quinone Production Method

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