CHEBI:33098 - 2-nitrotoluene

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ChEBI Name 2-nitrotoluene
ChEBI ID CHEBI:33098
Definition A mononitrotoluene that is toluene carrying a nitro substituent at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H7NO2
Net Charge 0
Average Mass 137.13600
InChI InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
InChIKey PLAZTCDQAHEYBI-UHFFFAOYSA-N
SMILES Cc1ccccc1[N+]([O-])=O
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
2-methyl-1-nitrobenzene ChemIDplus
2-Nitrotoluol ChemIDplus
o-methylnitrobenzene ChemIDplus
o-nitrotoluene ChemIDplus
o-Nitrotoluol ChEBI
ONT NIST Chemistry WebBook
ortho-Nitrotoluol ChemIDplus
Database Links Databases
2-Nitrotoluene Wikipedia
2-NITROTOLUENE MetaCyc
C19597 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1907580 Reaxys Registry Number Reaxys
88-72-2 CAS Registry Number ChemIDplus
88-72-2 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
20582618 PubMed citation CiteXplore
21432561 PubMed citation CiteXplore
23153775 PubMed citation CiteXplore
7944378 PubMed citation CiteXplore
Last Modified
28 July 2014