1-Nitropyrene

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

1-Nitropyrene

Names
IUPAC name 1-Nitropyrene
Identifiers
CAS Number	5522-43-0
3D model (JSmol)	Interactive image
ChEBI	CHEBI:34107
ChEMBL	ChEMBL167395
ChemSpider	20390
ECHA InfoCard	100.024.426
PubChem CID	21694
UNII	TD1665I8Q4
CompTox Dashboard (EPA)	DTXSID6020983
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/h1-9H Key: ALRLPDGCPYIVHP-UHFFFAOYSA-N
SMILES [O-][N+](=O)c4ccc2ccc1cccc3c1c2c4cc3
Properties
Chemical formula	C16H9NO2
Molar mass	247.253 g·mol^−1
Density	1.422 g/mL
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

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