CAS 13312-42-0

Benzo[a]pyrene-6-carboxaldehyde

Description:

Benzo[a]pyrene-6-carboxaldehyde is an organic compound that belongs to the polycyclic aromatic hydrocarbon (PAH) family, specifically derived from benzo[a]pyrene, a well-known carcinogen. This compound features a carboxaldehyde functional group, which imparts distinct chemical properties, including reactivity and polarity. It is typically characterized by its aromatic structure, which contributes to its stability and potential for undergoing electrophilic substitution reactions. The presence of the aldehyde group allows for further chemical transformations, such as oxidation to carboxylic acids or reduction to alcohols. Benzo[a]pyrene-6-carboxaldehyde is of interest in environmental chemistry due to its formation from the degradation of PAHs in combustion processes and its implications in human health, particularly concerning its mutagenic and carcinogenic potential. Its detection and quantification in environmental samples are crucial for assessing pollution levels and understanding the risks associated with exposure to PAHs. As with many PAHs, it is important to handle this compound with care due to its toxicological properties.

Formula: C₂₁H₁₂O

InChI: InChI=1S/C21H12O/c22-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-12H

InChI key: InChIKey=JYHGZHPGIQQNJP-UHFFFAOYSA-N

SMILES: C(=O)C1=C2C3=C4C(=CC=C3C=5C1=CC=CC5)C=CC=C4C=C2

Synonyms:

• Benzo[a]pyrene-6-carboxaldehyde
• 6-Benzo[a]pyrenecarboxaldehyde
• 6-Formylbenzo[a]pyrene
• Benzo[a]pyrene-6-carbaldehyde

Benzo[a]pyrene-6-carboxaldehyde

CAS: 13312-42-0

Formula: C₂₁H₁₂O

Molecular weight: 280.3194

Ref: IN-DA0014B1