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CAS 57303-99-8

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Benzo[a]pyrene-7,8-diol

Description:
Benzo[a]pyrene-7,8-diol is a polycyclic aromatic hydrocarbon (PAH) derivative, specifically a diol form of benzo[a]pyrene, which is known for its carcinogenic properties. This compound features a fused ring structure typical of PAHs, with hydroxyl groups at the 7 and 8 positions, which can influence its reactivity and biological activity. Benzo[a]pyrene-7,8-diol is primarily studied for its role in the metabolic activation of benzo[a]pyrene, contributing to DNA adduct formation and subsequent mutagenesis. It is often found in environmental samples, particularly in areas affected by combustion processes, such as urban pollution and tobacco smoke. The compound is also of interest in toxicology and environmental chemistry due to its persistence and potential health effects. Its solubility characteristics can vary, but it is generally more soluble in organic solvents than in water. Safety precautions are necessary when handling this substance, as it poses risks associated with exposure to carcinogenic compounds.
Formula:C20H12O2
InChI:InChI=1S/C20H12O2/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/h1-10,21-22H
InChI key:InChIKey=FWKXMJCJEOUXDE-UHFFFAOYSA-N
SMILES:OC1=C2C(C=3C4=C5C(=CC3)C=CC=C5C=CC4=C2)=CC=C1O
Synonyms:
  • 7,8-Dihydroxybenzo[a]pyrene
  • Benzo[A]Pyrene-7,8-Diol
  • Benzo[pqr]tetraphene-7,8-diol
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