CAS 37994-82-4

Benzo[a]pyren-7-ol

Description:

Benzo[a]pyren-7-ol is a polycyclic aromatic hydrocarbon (PAH) derivative, specifically a hydroxylated form of benzo[a]pyrene, which is known for its environmental persistence and potential carcinogenicity. This compound features a hydroxyl (-OH) group at the 7-position of the benzo[a]pyrene structure, influencing its chemical reactivity and biological activity. Benzo[a]pyren-7-ol is typically characterized by its relatively low solubility in water, but it can exhibit higher solubility in organic solvents. The presence of the hydroxyl group can enhance its interaction with biological systems, potentially leading to increased toxicity compared to its parent compound. This substance is of interest in environmental chemistry and toxicology due to its formation from the metabolism of benzo[a]pyrene, a common pollutant found in combustion products. Its study is crucial for understanding the mechanisms of PAH toxicity and the risks associated with exposure to such compounds in the environment.

Formula: C₂₀H₁₂O

InChI: InChI=1/C20H12O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1-11,21H

InChI key: InChIKey=CNQAYISXCZTDQX-UHFFFAOYSA-N

SMILES: OC1=C2C(C=3C4=C5C(=CC3)C=CC=C5C=CC4=C2)=CC=C1

Synonyms:

• 7-Hydroxybenzo[a]pyrene
• 7-Hydroxybenzopyrene
• Benzo[A]Pyren-7-Ol
• Benzo[pqr]tetraphen-7-ol
• Benzopyrene Related Compound 4 (7-hydroxybenzo[a]pyrene)

Benzopyrene Impurity 6 (7-hydroxybenzo[a]pyrene)

CAS: 37994-82-4

Formula: C₂₀H₁₂O

Molecular weight: 268.32

Ref: 4Z-B-528

7-Hydroxybenzo[a]pyrene

Controlled Product

CAS: 37994-82-4

Applications 7-Hydroxybenzo[a]pyrene is a metabolite of Benzopyrene (BaP), a carcinogenic component of tobacco smoke implicated in lung cancer.
References Li, F.,et al.: Environ. Toxicol. Pharmacol., 32, 373 (2011); Hayakawa, K., et al.: Polycyclic. Aromatic. Compound., 28, 382 (2008); Webb, L., et al.: Environ. Toxicol. Pharmacol., 21, 224 (2006);

Formula: C₂₀H₁₂O

Color and Shape: Yellow

Molecular weight: 268.31

Ref: TR-H829450

7-Hydroxybenzo[a]pyrene-13C4

Controlled Product

CAS: 37994-82-4

Formula: C₄C₁₆H₁₂O

Color and Shape: Neat

Molecular weight: 272.279

Ref: TR-H829452