4-amino-2,6-dinitrotoluene (CHEBI:77424)

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ChEBI Name	4-amino-2,6-dinitrotoluene

ChEBI ID	CHEBI:77424

Definition	An amino-nitrotoluene that is 2,6-dinitrotoluene substituted at position 4 by an amino group.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:20306

Supplier Information

Download	Molfile XML SDF

Formula

C7H7N3O4

Net Charge

Average Mass

197.14820

Monoisotopic Mass

197.04366

InChI

InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3

InChIKey

KQRJATLINVYHEZ-UHFFFAOYSA-N

SMILES

Cc1c(cc(N)cc1[N+]([O-])=O)[N+]([O-])=O

Roles Classification
Chemical Role(s):	explosive A substance capable of undergoing rapid and highly exothermic decomposition. Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. fungal xenobiotic metabolite Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi.

ChEBI Ontology
Outgoing	4-amino-2,6-dinitrotoluene (CHEBI:77424) has role explosive (CHEBI:63490) 4-amino-2,6-dinitrotoluene (CHEBI:77424) has role fungal xenobiotic metabolite (CHEBI:76968) 4-amino-2,6-dinitrotoluene (CHEBI:77424) has role marine metabolite (CHEBI:76507) 4-amino-2,6-dinitrotoluene (CHEBI:77424) is a amino-nitrotoluene (CHEBI:22482)

IUPAC Name

4-methyl-3,5-dinitroaniline

Synonyms	Sources
2,6-Dinitro-4-aminotoluene	NIST Chemistry WebBook
3,5-Dinitro-4-methylaniline	ChemIDplus
3,5-Dinitro-p-toluidine	ChemIDplus
4-ADNT	NIST Chemistry WebBook
4-Amino-1-methyl-2,6-dinitrobenzene	UM-BBD
4-Methyl-3,5-dinitrobenzenamine	ChemIDplus
4-Methyl-3,5-dinitrophenylamine	NIST Chemistry WebBook
NSC 25010	NIST Chemistry WebBook

Last Modified

28 July 2014