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CHEBI:50640 - 1,5-dinitronaphthalene

ChEBI IDCHEBI:50640
ChEBI Name1,5-dinitronaphthalene
Stars
DefinitionA dinitronaphthalene carrying nitro groups at positions 1 and 5.
Last Modified24 February 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H6N2O4
Net Charge0
Average Mass218.168
Monoisotopic Mass218.03276
SMILESO=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C10H6N2O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H
InChIKeyZUTCJXFCHHDFJS-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:527184Reaxys
CAS:605-71-0ChemIDplus
CAS:605-71-0NIST Chemistry WebBook
Citations