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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:51397 - 1,3-dinitrobenzene
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ChEBI Ontology
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ChEBI Name
1,3-dinitrobenzene
ChEBI ID
CHEBI:51397
Definition
A dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:44536
Supplier Information
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Formula
C6H4N2O4
Net Charge
0
Average Mass
168.10700
Monoisotopic Mass
168.01711
InChI
InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
InChIKey
WDCYWAQPCXBPJA-UHFFFAOYSA-N
SMILES
[O-][N+](=O)c1cccc(c1)[N+]([O-])=O
Roles Classification
Biological Role
(s):
neurotoxin
A poison that interferes with the functions of the nervous system.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1,3-dinitrobenzene (
CHEBI:51397
)
has role
neurotoxin (
CHEBI:50910
)
1,3-dinitrobenzene (
CHEBI:51397
)
is a
dinitrobenzene (
CHEBI:51396
)
IUPAC Name
1,3-dinitrobenzene
Synonyms
Sources
1,3-dinitrobenzene
UniProt
1,3-Dinitrobenzol
ChemIDplus
2,4-Dinitrobenzene
ChemIDplus
DINITROPHENYLENE
PDBeChem
m-Dinitrobenzene
ChemIDplus
m-DNB
ChemIDplus
meta-Dinitrobenzene
ChemIDplus
Manual Xrefs
Databases
13-DINITROBENZENE
MetaCyc
1637
PPDB
NIN
PDBeChem
View more database links
Registry Numbers
Types
Sources
1105654
Beilstein Registry Number
Beilstein
1105654
Reaxys Registry Number
Reaxys
99-65-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
12119003
PubMed citation
Europe PMC
7744316
PubMed citation
Europe PMC
9291486
PubMed citation
Europe PMC
Last Modified
20 September 2018