CAS 105596-42-7

8b,9a-Dihydro-3-nitropyreno[4,5-b]oxirene

Description:

8b,9a-Dihydro-3-nitropyreno[4,5-b]oxirene, identified by its CAS number 105596-42-7, is a chemical compound that belongs to the class of nitro-substituted polycyclic aromatic compounds. It features a unique oxirane (epoxide) functional group, which contributes to its reactivity and potential applications in organic synthesis. The presence of the nitro group indicates that it may exhibit distinct electronic properties, influencing its behavior in chemical reactions and interactions with biological systems. This compound is characterized by its polycyclic structure, which typically imparts stability and hydrophobic characteristics. The specific arrangement of atoms and functional groups in 8b,9a-Dihydro-3-nitropyreno[4,5-b]oxirene suggests potential utility in fields such as materials science, pharmaceuticals, and environmental chemistry. However, detailed studies on its toxicity, environmental impact, and specific applications are necessary to fully understand its characteristics and potential uses. As with many nitro compounds, caution is advised due to possible explosive properties under certain conditions.

Formula: C₁₆H₉NO₃

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

InChI key: InChIKey=HSGLBAJOUBFGPZ-UHFFFAOYSA-N

SMILES: N(=O)(=O)C=1C=2C3=C4C(C5C(C3=CC1)O5)=CC=CC4=CC2

Synonyms:

• 3-Nitro-8B,9A-Dihydropyreno[4,5-B]Oxirene
• 8b,9a-Dihydro-3-nitropyreno(4,5-b)oxirene
• Ccris 2126
• Pyrene, 4,5-dihydro-4,5-epoxy-1-nitro-
• Pyreno(4,5-b)oxirene, 8b,9a-dihydro-3-nitro-
• 1-Nitropyrene-4,5-oxide

1-Nitropyrene-4,5-oxide

Controlled Product

CAS: 105596-42-7

Applications 1-Nitropyrene-4,5-oxide is a derivative of 1-Nitropyrene (N519950) one of the most abundant nitropolycylcic aromatic hydrocarbon found in exhaust from diesel engines with potent carcinogenic and mutagenic properties.
References Arce, R., et al.: J. Phys. Chem. A., 112, 10294 (2008);

Formula: C₁₆H₉NO₃

Color and Shape: Neat

Molecular weight: 263.248

Ref: TR-N519958