CHEBI:50640 - 1,5-dinitronaphthalene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,5-dinitronaphthalene
ChEBI ID CHEBI:50640
Definition A dinitronaphthalene carrying nitro groups at positions 1 and 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C10H6N2O4
Net Charge 0
Average Mass 218.16572
Monoisotopic Mass 218.03276
InChI InChI=1S/C10H6N2O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H
InChIKey ZUTCJXFCHHDFJS-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1cccc2c(cccc12)[N+]([O-])=O
Roles Classification
Biological Role(s): genotoxin
A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,5-dinitronaphthalene (CHEBI:50640) has role genotoxin (CHEBI:50902)
1,5-dinitronaphthalene (CHEBI:50640) is a dinitronaphthalene (CHEBI:50636)
IUPAC Name
1,5-dinitronaphthalene
Registry Numbers Types Sources
527184 Beilstein Registry Number Beilstein
527184 Reaxys Registry Number Reaxys
605-71-0 CAS Registry Number NIST Chemistry WebBook
605-71-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18440115 PubMed citation Europe PMC
7531283 PubMed citation Europe PMC
Last Modified
24 February 2014