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CAS 189-55-9

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Dibenzo[a,i]pyrene

Description:
Dibenzo[a,i]pyrene is a polycyclic aromatic hydrocarbon (PAH) characterized by its complex structure, which consists of four fused benzene rings. It is known for its high molecular weight and is classified as a potent carcinogen. The compound is typically found in fossil fuels, such as coal and crude oil, and can be produced during the incomplete combustion of organic materials. Dibenzo[a,i]pyrene is insoluble in water but soluble in organic solvents, which influences its environmental behavior and bioavailability. Its persistence in the environment raises concerns regarding its potential health effects, as it can accumulate in living organisms and enter the food chain. Due to its carcinogenic properties, exposure to dibenzo[a,i]pyrene is regulated in many jurisdictions, particularly in occupational settings and environmental monitoring. Analytical methods, such as gas chromatography-mass spectrometry (GC-MS), are commonly employed to detect and quantify this compound in various matrices, including air, soil, and biological samples.
Formula:C24H14
InChI:InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H
InChI key:InChIKey=TUGYIJVAYAHHHM-UHFFFAOYSA-N
SMILES:C12=C3C=4C=5C(C=C3C=CC1=CC=6C(C2=CC4)=CC=CC6)=CC=CC5
Synonyms:
  • Dibenzo[b,h]pyrene
  • 3,4:9,10-Dibenzopyrene
  • Benzo[rst]pentaphene
  • Dibenzo[a,i]pyrene
  • Benzo[rst]pentacene
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