CAS 86674-49-9

3-Hydroxy-1-nitropyrene

Description:

3-Hydroxy-1-nitropyrene is an organic compound that belongs to the class of nitroaromatic compounds, specifically a derivative of pyrene. It features a hydroxyl group (-OH) and a nitro group (-NO2) attached to the pyrene structure, which is a polycyclic aromatic hydrocarbon. This compound is characterized by its potential as a pollutant and its relevance in environmental chemistry, particularly in studies related to air quality and the effects of polycyclic aromatic hydrocarbons (PAHs). The presence of both hydroxyl and nitro functional groups can influence its reactivity, solubility, and biological activity. 3-Hydroxy-1-nitropyrene may exhibit mutagenic and carcinogenic properties, making it a subject of interest in toxicology and environmental health research. Its synthesis typically involves nitration reactions followed by hydroxylation, and it can be detected and quantified using various analytical techniques, including chromatography and mass spectrometry. Understanding its characteristics is crucial for assessing its environmental impact and potential health risks associated with exposure.

Formula: C₁₆H₉NO₃

InChI: InChI=1S/C16H9NO3/c18-14-8-13(17(19)20)11-6-4-9-2-1-3-10-5-7-12(14)16(11)15(9)10/h1-8,18H

InChI key: InChIKey=BOQCPFGCIYLAGN-UHFFFAOYSA-N

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

Synonyms:

• 1-Hydroxy-3-nitropyrene
• 1-Nitro-3-hydroxypyrene
• 1-Nitropyren-3-ol
• 1-Pyrenol, 3-Nitro-
• 3-Hydroxy-1-nitropyrene
• 3-Nitro-1-pyrenol
• 3-Nitropyren-1-ol

3-Nitro-1-pyrenol

CAS: 86674-49-9

Applications 3-Nitro-1-pyrenol is an nitroarene which may contribute to genotoxicity associated with air pollution.
References Kameda, T., et al.: J. Health. Sci., 57, 372 (2011); Van, B., et al.: Chem. Biol. interact., 117, 15 (1999);

Formula: C₁₆H₉NO₃

Color and Shape: Neat

Molecular weight: 263.25

Ref: TR-N519980

3-Nitro-1-pyrenol-d8

Controlled Product

CAS: 86674-49-9

Applications 3-Nitro-1-pyrenol is an nitroarene which may contribute to genotoxicity associated with air pollution. This is the labeled analog.
References Kameda, T., et al.: J. Health. Sci., 57, 372 (2011); Van, B., et al.: Chem. Biol. interact., 117, 15 (1999);

Formula: C₁₆D₈HNO₃

Color and Shape: Neat

Molecular weight: 271.297

Ref: TR-N519982