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CHEBI:920 - 2,4-dinitrotoluene

ChEBI IDCHEBI:920
ChEBI Name2,4-dinitrotoluene
Stars
DefinitionA dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene.
Last Modified20 July 2015
DownloadsMolfile
FormulaC7H6N2O4
Net Charge0
Average Mass182.135
Monoisotopic Mass182.03276
SMILESCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
InChIKeyRMBFBMJGBANMMK-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
2,4-dinitrotoluene (CHEBI:920) is a dinitrotoluene (CHEBI:23822)
IUPAC Name 
1-methyl-2,4-dinitrobenzene
Synonyms  Source
2,4-DinitrotolueneKEGG COMPOUND
2,4-DNTKEGG COMPOUND
2,4-dinitro-1-methylbenzeneChemIDplus
2,4-dinitromethylbenzeneChemIDplus
2,4-dinitrotoluolChemIDplus
DNTNIST Chemistry WebBook
UniProt Name  Source
2,4-dinitrotolueneUniProt
Manual XrefsDatabases
C11006KEGG COMPOUND
2,4-DinitrotolueneWikipedia
Registry NumbersSources
Reaxys:1912834Reaxys
CAS:121-14-2KEGG COMPOUND
CAS:121-14-2ChemIDplus
CAS:121-14-2NIST Chemistry WebBook
Citations