EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:33098 - 2-nitrotoluene

ChEBI IDCHEBI:33098
ChEBI Name2-nitrotoluene
Stars
DefinitionA mononitrotoluene that is toluene carrying a nitro substituent at position 2.
Last Modified20 September 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H7NO2
Net Charge0
Average Mass137.138
Monoisotopic Mass137.04768
SMILESCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
InChIKeyPLAZTCDQAHEYBI-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
ChEBI Ontology
Outgoing Relation(s)
2-nitrotoluene (CHEBI:33098) has role carcinogenic agent (CHEBI:50903)
2-nitrotoluene (CHEBI:33098) has role environmental contaminant (CHEBI:78298)
2-nitrotoluene (CHEBI:33098) is a mononitrotoluene (CHEBI:63171)
IUPAC Name 
1-methyl-2-nitrobenzene
Synonyms  Source
2-methyl-1-nitrobenzeneChemIDplus
2-NitrotoluolChemIDplus
o-methylnitrobenzeneChemIDplus
o-nitrotolueneChemIDplus
o-NitrotoluolChEBI
ortho-NitrotoluolChemIDplus
UniProt Name  Source
2-nitrotolueneUniProt
Manual XrefsDatabases
2-NitrotolueneWikipedia
2-NITROTOLUENEMetaCyc
C19597KEGG COMPOUND
Registry NumbersSources
Reaxys:1907580Reaxys
CAS:88-72-2KEGG COMPOUND
CAS:88-72-2ChemIDplus
CAS:88-72-2NIST Chemistry WebBook
Citations