CHEBI:84559 - 2,4-dinitroanisole

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ChEBI Name 2,4-dinitroanisole ChEBI ID CHEBI:84559 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C7H6N2O5 Net Charge 0 Average Mass 198.13290 Monoisotopic Mass 198.02767 InChI InChI=1S/C7H6N2O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3 InChIKey CVYZVNVPQRKDLW-UHFFFAOYSA-N SMILES COc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Roles Classification Chemical Role(s): explosive A substance capable of undergoing rapid and highly exothermic decomposition. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 2,4-Dinitro-1-methoxy-benzene NIST Chemistry WebBook 2,4-dinitroanisole UniProt 2,4-Dinitrophenyl methyl ether ChemIDplus 2,4-Dinitrophenylmethyl ether ChemIDplus 2,4-Nitroanisole NIST Chemistry WebBook α-dinitroanisole NIST Chemistry WebBook Dinitroanisole ChemIDplus Manual Xrefs Databases 2,4-Dinitroanisole Wikipedia CPD-17560 MetaCyc View more database links Registry Numbers Types Sources 119-27-7 CAS Registry Number NIST Chemistry WebBook 119-27-7 CAS Registry Number ChemIDplus 1881474 Reaxys Registry Number Reaxys Citations Types Sources 23280483 PubMed citation Europe PMC 23373810 PubMed citation Europe PMC 23892166 PubMed citation Europe PMC 25083594 PubMed citation Europe PMC 25212590 PubMed citation Europe PMC 25281383 PubMed citation SUBMITTER 25460743 PubMed citation Europe PMC 25476794 PubMed citation Europe PMC 25620422 PubMed citation Europe PMC 25736204 PubMed citation Europe PMC Last Modified 10 April 2015