CAS 57303-98-7

Benzo[a]pyrene-9,10-diol

Description:

Benzo[a]pyrene-9,10-diol is a polycyclic aromatic hydrocarbon (PAH) derivative, specifically an oxidation product of benzo[a]pyrene, which is known for its carcinogenic properties. This compound features a diol functional group, indicating the presence of two hydroxyl (-OH) groups attached to the aromatic ring structure. It is typically formed through the metabolic activation of benzo[a]pyrene, which occurs in various biological systems and environmental processes. The presence of hydroxyl groups enhances its solubility in polar solvents compared to its parent compound, making it more reactive and potentially more toxic. Benzo[a]pyrene-9,10-diol is of significant interest in environmental chemistry and toxicology due to its role in the formation of DNA adducts, which can lead to mutations and cancer. Its detection and quantification in environmental samples, such as air, soil, and biological tissues, are crucial for assessing exposure risks and understanding its environmental fate. Overall, this compound exemplifies the complex interactions between chemical structure, reactivity, and biological effects in the context of environmental health.

Formula: C₂₀H₁₂O₂

InChI: InChI=1/C20H12O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,21-22H

InChI key: InChIKey=UMJIZEKULDXYAK-UHFFFAOYSA-N

SMILES: OC1=C2C=3C4=C5C(=CC3)C=CC=C5C=CC4=CC2=CC=C1O

Synonyms:

• 9,10-Dihydroxybenzo(a)pyrene
• Benzo(a)pyrene, 9,10-dihydroxy-
• Benzo(a)pyrene-9,10-diol
• Benzopyrene Related Compound 9

Benzopyrene Impurity 11

CAS: 57303-98-7

Formula: C₂₀H₁₂O₂

Molecular weight: 284.32

Ref: 4Z-B-5213

Benzo[a]​pyrene-​9,​10-​diol

Controlled Product

CAS: 57303-98-7

Formula: C₂₀H₁₂O₂

Color and Shape: Neat

Molecular weight: 284.308

Ref: TR-B205825

Benzo[a]​pyrene-​9,​10-​diol-d10

Controlled Product

CAS: 57303-98-7

Formula: C₂₀D₁₀H₂O₂

Color and Shape: Neat

Molecular weight: 294.37

Ref: TR-B205827