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CHEBI:50640 - 1,5-dinitronaphthalene
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ChEBI Ontology
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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.
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Molfile
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
Types
Sources
18440115
PubMed citation
Europe PMC
7531283
PubMed citation
Europe PMC
Last Modified
24 February 2014