CHEBI:51397 - 1,3-dinitrobenzene

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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
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Formula C6H4N2O4
Net Charge 0
Average Mass 168.10700
Monoisotopic Mass 168.017
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.
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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 Waiting for Citations Types Sources
12119003 PubMed citation Europe PMC
7744316 PubMed citation Europe PMC
9291486 PubMed citation Europe PMC
Last Modified
20 September 2018