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CHEBI:51397 - 1,3-dinitrobenzene

ChEBI IDCHEBI:51397
ChEBI Name1,3-dinitrobenzene
Stars
DefinitionA dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups.
Secondary ChEBI IDCHEBI:44536
Last Modified20 September 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H4N2O4
Net Charge0
Average Mass168.108
Monoisotopic Mass168.01711
SMILESO=[N+]([O-])c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
InChIKeyWDCYWAQPCXBPJA-UHFFFAOYSA-N
Roles Classification
Biological Role:
neurotoxin  A poison that interferes with the functions of the nervous system.
ChEBI Ontology
Outgoing Relation(s)
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  Source
DINITROPHENYLENEPDBeChem
1,3-DinitrobenzolChemIDplus
2,4-DinitrobenzeneChemIDplus
m-DinitrobenzeneChemIDplus
meta-DinitrobenzeneChemIDplus
m-DNBChemIDplus
UniProt Name  Source
1,3-dinitrobenzeneUniProt
Manual XrefsDatabases
NINPDBeChem
13-DINITROBENZENEMetaCyc
1637PPDB
Registry NumbersSources
Reaxys:1105654Reaxys
CAS:99-65-0ChemIDplus
Citations