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CHEBI:34242 - 2,4-dinitroaniline

ChEBI IDCHEBI:34242
ChEBI Name2,4-dinitroaniline
Stars
DefinitionA nitroaniline consisting of an aniline core having two nitro substituents located at the 2- and 4-positions.
Last Modified17 December 2012
DownloadsMolfile
FormulaC6H5N3O4
Net Charge0
Average Mass183.123
Monoisotopic Mass183.02801
SMILESNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2
InChIKeyLXQOQPGNCGEELI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2,4-dinitroaniline (CHEBI:34242) is a nitroaniline (CHEBI:25550)
IUPAC Name 
2,4-dinitroaniline
Synonyms  Source
1-Amino-2,4-dinitrobenzeneKEGG COMPOUND
2,4-DinitrobenzenamineChemIDplus
2,4-DinitroanilinaChemIDplus
2,4-DinitrophenylamineChemIDplus
2,4-DinitroanilinChemIDplus
2,4-NitroanilineNIST Chemistry WebBook
Manual XrefsDatabases
C14713KEGG COMPOUND
Registry NumbersSources
Reaxys:982999Reaxys
CAS:97-02-9ChemIDplus
CAS:97-02-9NIST Chemistry WebBook
Citations