1-Nitropyrene

1-Nitropyrene: 1-Nitropyrene

IUPAC name

1-Nitropyrene

Identifiers

CAS number 5522-43-0^Y

PubChem 21694

ChemSpider 20390^Y

ChEMBL CHEMBL167395^N

Jmol-3D images Image 1

SMILES

[O-][N+](=O)c4ccc2ccc1cccc3c1c2c4cc3

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^Y
Key: ALRLPDGCPYIVHP-UHFFFAOYSA-N^Y

Properties

Molecular formula C₁₆H₉NO₂

Molar mass 247.25 g mol⁻¹

N (verify) (what is: Y/N?)
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

Infobox references

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.

References

^ "NTP Technical Report on Toxicity Study of 1-Nitropyrene (CAS No. 5522-43-0) Administered by Inhalation to F344/N Rats". Toxicity Report Series Number 34. National Toxicology Program. http://ntp.niehs.nih.gov/ntp/htdocs/ST_rpts/tox034.pdf. Retrieved 15 January 2011.

^ Agents Classified by the IARC Monographs

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Academic Dictionaries and Encyclopedias

1-Nitropyrene

IUPAC name 1-Nitropyrene
Identifiers
CAS number	5522-43-0^Y
PubChem	21694
ChemSpider	20390^Y
ChEMBL	CHEMBL167395^N
Jmol-3D images	Image 1
SMILES [O-][N+](=O)c4ccc2ccc1cccc3c1c2c4cc3
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^Y Key: ALRLPDGCPYIVHP-UHFFFAOYSA-N^Y
Properties
Molecular formula	C₁₆H₉NO₂
Molar mass	247.25 g mol⁻¹
N (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references