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1-Nitropyrene

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1-Nitropyrene
Names
Preferred IUPAC name 1-Nitropyrene
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.024.426 Edit this at Wikidata
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9HKey: ALRLPDGCPYIVHP-UHFFFAOYSA-N
SMILES
  • (=O)c4ccc2ccc1cccc3c1c2c4cc3
Properties
Chemical formula C16H9NO2
Molar mass 247.253 g·mol
Density 1.422 g/mL
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Chemical compound

1-Nitropyrene is a by-product of combustion and is the predominant nitrated polycyclic aromatic hydrocarbon (pyrene) emitted in a diesel engine. 1-Nitropyrene is listed as an IARC Group 2B carcinogen, indicating it is possibly carcinogenic to humans.

References

  1. "NTP Technical Report on Toxicity Study of 1-Nitropyrene (CAS No. 5522-43-0) Administered by Inhalation to F344/N Rats" (PDF). Toxicity Report Series Number 34. National Toxicology Program. Retrieved 15 January 2011.
  2. Agents Classified by the IARC Monographs


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