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CHEBI:67130 - 2,4-dinitrophenetole

ChEBI IDCHEBI:67130
ChEBI Name2,4-dinitrophenetole
Stars
DefinitionAn aromatic ether comprised of phenetole substituted at C-2 and C-4 by nitro groups.
Last Modified14 August 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H8N2O5
Net Charge0
Average Mass212.161
Monoisotopic Mass212.04332
SMILESCCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O5/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,2H2,1H3
InChIKeyYSOKMOXAGMIZFZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,4-dinitrophenetole (CHEBI:67130) is a C-nitro compound (CHEBI:35716)
2,4-dinitrophenetole (CHEBI:67130) is a aromatic ether (CHEBI:35618)
IUPAC Name 
1-ethoxy-2,4-dinitrobenzene
Synonym  Source
2,4-dinitrophenyl ethyl etherIUPAC
Registry NumbersSources
Reaxys:1884582Reaxys
CAS:610-54-8ChemIDplus
Citations