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CHEBI:957 - 2,6-dinitrotoluene
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ChEBI Ontology
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ChEBI Name
2,6-dinitrotoluene
ChEBI ID
CHEBI:957
Definition
A dinitrotoluene carrying nitro substituents at positions 2 and 6.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C7H6N2O4
Net Charge
0
Average Mass
182.13350
Monoisotopic Mass
182.03276
InChI
InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3
InChIKey
XTRDKALNCIHHNI-UHFFFAOYSA-N
SMILES
Cc1c(cccc1[N+]([O-])=O)[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
2,6-dinitrotoluene (
CHEBI:957
)
has role
genotoxin (
CHEBI:50902
)
2,6-dinitrotoluene (
CHEBI:957
)
is a
dinitrotoluene (
CHEBI:23822
)
IUPAC Name
2-methyl-1,3-dinitrobenzene
Synonyms
Sources
1-methyl-2,6-dinitrobenzene
NIST Chemistry WebBook
2,6-dinitromethylbenzene
ChemIDplus
2,6-dinitrotoluene
UniProt
2,6-Dinitrotoluene
KEGG COMPOUND
2,6-DNT
KEGG COMPOUND
Manual Xrefs
Databases
C11008
KEGG COMPOUND
CPD-9133
MetaCyc
View more database links
Registry Numbers
Types
Sources
2052046
Beilstein Registry Number
ChemIDplus
2052046
Reaxys Registry Number
Reaxys
606-20-2
CAS Registry Number
NIST Chemistry WebBook
606-20-2
CAS Registry Number
ChemIDplus
Citation
Type
Source
22155124
PubMed citation
Europe PMC
Last Modified
20 September 2018