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CAS 65199-11-3

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Benzo[a]pyrene-7,8-dione

Description:
Benzo[a]pyrene-7,8-dione is a polycyclic aromatic hydrocarbon derivative characterized by its structure, which includes a fused ring system typical of benzo[a]pyrene, with a dione functional group at the 7 and 8 positions. This compound is known for its potential mutagenic and carcinogenic properties, as it is a metabolite of benzo[a]pyrene, a well-studied environmental pollutant. Benzo[a]pyrene-7,8-dione is typically found in combustion products, such as those from tobacco smoke and vehicle emissions, and can also be formed during the metabolic activation of benzo[a]pyrene in biological systems. The presence of the dione group contributes to its reactivity, allowing it to participate in various chemical reactions, including nucleophilic attacks and redox processes. Its toxicity and environmental persistence raise concerns regarding its impact on human health and ecosystems. As a result, benzo[a]pyrene-7,8-dione is often analyzed in studies related to environmental chemistry and toxicology.
Formula:C20H10O2
InChI:InChI=1S/C20H10O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10H
InChI key:InChIKey=CRYMJHJFLJAFNU-UHFFFAOYSA-N
SMILES:O=C1C2=C(C=3C4=C5C(=CC3)C=CC=C5C=CC4=C2)C=CC1=O
Synonyms:
  • 7,8-Benzo[a]pyrenequinone
  • 7,8-Dihydrobenzo[a]pyrene-7,8-dione
  • Benzo[A]Pyrene-7,8-Dione
  • Benzo[a]pyrene-7,8-quinone
  • Benzo[pqr]tetraphene-7,8-dione
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