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Details

Stereochemistry ACHIRAL
Molecular Formula C16H9NO2
Molecular Weight 247.2482
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-NITROPYRENE

SMILES

[O-][N+](=O)C1=CC2=C3C(C=CC4=C3C1=CC=C4)=CC=C2

InChI

InChIKey=UISKIUIWPSPSAV-UHFFFAOYSA-N
InChI=1S/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H

HIDE SMILES / InChI

Molecular Formula C16H9NO2
Molecular Weight 247.2482
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Secondary effects of catalytic diesel particulate filters: conversion of PAHs versus formation of nitro-PAHs.
2008-05-15
Nitroarenes (selected) 4-nitropyrene.
2004
Nitroarenes (selected). 4-Nitropyrene.
2002
Carcinogenicity of nitropyrenes in the newborn female rat.
1995-12
Tumorigenicity of nitrated derivatives of pyrene, benz[a]anthracene, chrysene and benzo[a]pyrene in the newborn mouse assay.
1986-08
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:34:40 GMT 2025
Edited
by admin
on Mon Mar 31 18:34:40 GMT 2025
Record UNII
XOT1408EDI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-NITROPYRENE [HSDB]
Preferred Name English
4-NITROPYRENE
HSDB  
Systematic Name English
PYRENE, 4-NITRO-
Systematic Name English
4-NITROPYRENE [IARC]
Common Name English
NITROPYRENE, 4-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C45182
Created by admin on Mon Mar 31 18:34:40 GMT 2025 , Edited by admin on Mon Mar 31 18:34:40 GMT 2025
Code System Code Type Description
NCI_THESAURUS
C44325
Created by admin on Mon Mar 31 18:34:40 GMT 2025 , Edited by admin on Mon Mar 31 18:34:40 GMT 2025
PRIMARY
CAS
57835-92-4
Created by admin on Mon Mar 31 18:34:40 GMT 2025 , Edited by admin on Mon Mar 31 18:34:40 GMT 2025
PRIMARY
FDA UNII
XOT1408EDI
Created by admin on Mon Mar 31 18:34:40 GMT 2025 , Edited by admin on Mon Mar 31 18:34:40 GMT 2025
PRIMARY
HSDB
7769
Created by admin on Mon Mar 31 18:34:40 GMT 2025 , Edited by admin on Mon Mar 31 18:34:40 GMT 2025
PRIMARY
PUBCHEM
62134
Created by admin on Mon Mar 31 18:34:40 GMT 2025 , Edited by admin on Mon Mar 31 18:34:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID5074844
Created by admin on Mon Mar 31 18:34:40 GMT 2025 , Edited by admin on Mon Mar 31 18:34:40 GMT 2025
PRIMARY