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CHEBI:27798 - nitrobenzene

ChEBI IDCHEBI:27798
ChEBI Namenitrobenzene
Stars
DefinitionA nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline.
Secondary ChEBI IDsCHEBI:7588, CHEBI:25551, CHEBI:44199, CHEBI:116696
Last Modified1 July 2015
DownloadsMolfile
FormulaC6H5NO2
Net Charge0
Average Mass123.111
Monoisotopic Mass123.03203
SMILESO=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKeyLQNUZADURLCDLV-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
nitrobenzene (CHEBI:27798) is a nitroarene (CHEBI:51132)
nitrobenzene (CHEBI:27798) is a nitrobenzenes (CHEBI:48109)
Incoming Relation(s)
(2-nitrophenyl)acetic acid (CHEBI:187870) has functional parent nitrobenzene (CHEBI:27798)
2-nitrobenzene-1,3,5-triol (CHEBI:32973) has functional parent nitrobenzene (CHEBI:27798)
nimesulide (CHEBI:44445) has functional parent nitrobenzene (CHEBI:27798)
o-nitrophenyl group (CHEBI:63755) is substituent group from nitrobenzene (CHEBI:27798)
p-nitrophenyl group (CHEBI:61595) is substituent group from nitrobenzene (CHEBI:27798)
IUPAC Name 
nitrobenzene
Synonyms  Source
NitrobenzeneKEGG COMPOUND
NitrobenzolKEGG COMPOUND
NITROBENZENEPDBeChem
oil of mirbaneChEBI
UniProt Name  Source
nitrobenzeneUniProt
Manual XrefsDatabases
C06813KEGG COMPOUND
C06813KEGG COMPOUND
c0313UM-BBD
NBZPDBeChem
BENZENE-NO2MetaCyc
NitrobenzeneWikipedia
HMDB0041950HMDB
Registry NumbersSources
Gmelin:50357Gmelin
Reaxys:507540Reaxys
CAS:98-95-3KEGG COMPOUND
CAS:98-95-3ChemIDplus
CAS:98-95-3NIST Chemistry WebBook
Citations