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CHEBI:35227 - 4-nitrotoluene

ChEBI IDCHEBI:35227
ChEBI Name4-nitrotoluene
Stars
DefinitionA mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position.
Secondary ChEBI IDsCHEBI:20461, CHEBI:33097, CHEBI:34431
Last Modified20 September 2018
SubmitterKirill Degtyarenko, Marcus Ennis
DownloadsMolfile
FormulaC7H7NO2
Net Charge0
Average Mass137.138
Monoisotopic Mass137.04768
SMILESCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChIKeyZPTVNYMJQHSSEA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-nitrotoluene (CHEBI:35227) is a mononitrotoluene (CHEBI:63171)
IUPAC Name 
1-methyl-4-nitrobenzene
Synonyms  Source
4-methylnitrobenzeneChemIDplus
p-methylnitrobenzeneChemIDplus
p-nitrotolueneChemIDplus
para-NitrotoluolChemIDplus
4-NitrotoluolChemIDplus
PNTNIST Chemistry WebBook
UniProt Name  Source
4-nitrotolueneUniProt
Manual XrefsDatabases
C14394KEGG COMPOUND
Registry NumbersSources
Gmelin:26926Gmelin
Beilstein:1906911Beilstein
Reaxys:1906911Reaxys
CAS:99-99-0ChemIDplus
CAS:99-99-0KEGG COMPOUND
CAS:99-99-0NIST Chemistry WebBook
Citations