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CHEBI:84559 - 2,4-dinitroanisole

ChEBI IDCHEBI:84559
ChEBI Name2,4-dinitroanisole
Stars
DefinitionA member of the class of dinitroanisoles that is 2-nitroanisole in which the hydrogen para to the methoxy group is replaced by a second nitro group.
Last Modified10 April 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H6N2O5
Net Charge0
Average Mass198.134
Monoisotopic Mass198.02767
SMILESCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3
InChIKeyCVYZVNVPQRKDLW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
explosive  A substance capable of undergoing rapid and highly exothermic decomposition.
ChEBI Ontology
Outgoing Relation(s)
2,4-dinitroanisole (CHEBI:84559) has role explosive (CHEBI:63490)
2,4-dinitroanisole (CHEBI:84559) is a dinitroanisoles (CHEBI:84580)
IUPAC Name 
1-methoxy-2,4-dinitrobenzene
Synonyms  Source
2,4-Dinitrophenylmethyl etherChemIDplus
DinitroanisoleChemIDplus
2,4-Dinitrophenyl methyl etherChemIDplus
2,4-NitroanisoleNIST Chemistry WebBook
α-dinitroanisoleNIST Chemistry WebBook
2,4-Dinitro-1-methoxy-benzeneNIST Chemistry WebBook
UniProt Name  Source
2,4-dinitroanisoleUniProt
Manual XrefsDatabases
CPD-17560MetaCyc
2,4-DinitroanisoleWikipedia
Registry NumbersSources
Reaxys:1881474Reaxys
CAS:119-27-7ChemIDplus
CAS:119-27-7NIST Chemistry WebBook
Citations