CAS 13345-25-0

Benzo[a]pyrene-7,8-dihydrodiol

Description:

Benzo[a]pyrene-7,8-dihydrodiol is a polycyclic aromatic hydrocarbon (PAH) that is derived from benzo[a]pyrene, a well-known environmental pollutant and carcinogen. This compound features a dihydrodiol functional group, which indicates the presence of two hydroxyl (-OH) groups added to the benzo[a]pyrene structure, specifically at the 7 and 8 positions. The presence of these hydroxyl groups can influence its reactivity and biological activity, potentially affecting its role in metabolic pathways and its interaction with biological macromolecules. Benzo[a]pyrene-7,8-dihydrodiol is of particular interest in toxicology and environmental chemistry due to its implications in human health, particularly in relation to cancer risk associated with exposure to PAHs. It is often studied in the context of its formation from the metabolic activation of benzo[a]pyrene and its subsequent effects on cellular systems. As with many PAHs, it is hydrophobic and can persist in the environment, raising concerns about its accumulation in living organisms and ecosystems.

Formula: C₂₀H₁₄O₂

InChI: InChI=1S/C20H14O2/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/h1-10,17,20-22H

InChI key: InChIKey=YDXRLMMGARHIIC-UHFFFAOYSA-N

SMILES: OC1C2=C(C=3C4=C5C(=CC3)C=CC=C5C=CC4=C2)C=CC1O

Synonyms:

• 7,8-Benzo[a]pyrenedihydrodiol
• 7,8-Dihdyroxy-7,8-Dihydrobenzo(A)Pyrene
• 7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene
• 7,8-Dihydrobenzo[Pqr]Tetraphene-7,8-Diol
• 7,8-Dihydrobenzo[a]pyrene-7,8-diol
• 7,8-Dihydrodihydroxybenzo[a]pyrene
• 7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene
• Benzo[A]Pyrene-Trans-7,8-Dihydrodiol
• Benzo[a]pyrene-7,8-diol, 7,8-dihydro-
• Benzo[a]pyrene-7,8-dihydrodiol

Benzopyrene Impurity 12

CAS: 13345-25-0

Formula: C₂₀H₁₄O₂

Molecular weight: 286.33

Ref: 4Z-B-5215