CAS 63041-90-7: 6-Nitrobenzo[a]pyrene

Description:6-Nitrobenzo[a]pyrene is a polycyclic aromatic hydrocarbon (PAH) that is characterized by its complex structure, which includes a nitro group (-NO2) attached to the benzo[a]pyrene framework. This compound is known for its potential mutagenic and carcinogenic properties, making it a subject of environmental and health studies. It is typically found in combustion byproducts, such as those from fossil fuel burning and tobacco smoke. The presence of the nitro group enhances its reactivity and biological activity compared to its parent compound, benzo[a]pyrene. 6-Nitrobenzo[a]pyrene is often analyzed in environmental samples due to its persistence and potential to bioaccumulate in living organisms. Its solubility characteristics can vary, influencing its distribution in different environmental matrices. As a result, it poses risks to human health and ecosystems, necessitating careful monitoring and regulation. Understanding its behavior in the environment and its effects on biological systems is crucial for assessing risks associated with exposure to this compound.

Formula:C₂₀H₁₁NO₂

InChI:InChI=1S/C20H11NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H

InChI key:InChIKey=NMMAFYSZGOFZCM-UHFFFAOYSA-N

SMILES:O=N(=O)C=1C=2C=CC=CC2C3=CC=C4C=CC=C5C=CC1C3=C45