CHEBI:39349 - 4,6-dinitro-o-cresol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4,6-dinitro-o-cresol
ChEBI ID CHEBI:39349
ChEBI ASCII Name 4,6-dinitro-o-cresol
Definition A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:487591, ZINC000012405045
Download Molfile XML SDF
more structures >>
Formula C7H6N2O5
Net Charge 0
Average Mass 198.13290
Monoisotopic Mass 198.02767
InChI InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3
InChIKey ZXVONLUNISGICL-UHFFFAOYSA-N
SMILES Cc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
Roles Classification
Biological Role(s): fungicide
A substance used to destroy fungal pests.
Application(s): dinitrophenol insecticide

fungicide
A substance used to destroy fungal pests.
herbicide
A substance used to destroy plant pests.
pesticide
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
(via organonitrogen pesticide )
acaricide
A substance used to destroy pests of the subclass Acari (mites and ticks).
(via organonitrogen acaricide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4,6-dinitro-o-cresol (CHEBI:39349) has functional parent 2,4-dinitrophenol (CHEBI:42017)
4,6-dinitro-o-cresol (CHEBI:39349) has functional parent o-cresol (CHEBI:28054)
4,6-dinitro-o-cresol (CHEBI:39349) has role dinitrophenol insecticide (CHEBI:39415)
4,6-dinitro-o-cresol (CHEBI:39349) has role fungicide (CHEBI:24127)
4,6-dinitro-o-cresol (CHEBI:39349) has role herbicide (CHEBI:24527)
4,6-dinitro-o-cresol (CHEBI:39349) is a dinitrophenol acaricide (CHEBI:39363)
4,6-dinitro-o-cresol (CHEBI:39349) is a hydroxytoluene (CHEBI:24751)
4,6-dinitro-o-cresol (CHEBI:39349) is a nitrotoluene (CHEBI:25566)
IUPAC Name
2-methyl-4,6-dinitrophenol
Synonyms Sources
2,4-Dinitro-6-methylphenol KEGG COMPOUND
3,5-dinitro-2-hydroxytoluene ChemIDplus
4,6-dinitro-o-cresol NIST Chemistry WebBook
4,6-Dinitro-o-cresol KEGG COMPOUND
6-methyl-2,4-dinitrophenol NIST Chemistry WebBook
Antinonnin NIST Chemistry WebBook
DNOC ChemIDplus
Manual Xrefs Databases
261 PPDB
C18653 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
2054389 Reaxys Registry Number Reaxys
534-52-1 CAS Registry Number KEGG COMPOUND
534-52-1 CAS Registry Number NIST Chemistry WebBook
534-52-1 CAS Registry Number ChemIDplus
Citations
Broholm MM, Tuxen N, Rugge K, Bjerg PL (2001)
Sorption and degradation of the herbicide 2-methyl-4,6-dinitrophenol under aerobic conditions in a sandy aquifer in Vejen, Denmark.
Environmental science & technology 35, 4789-4797 [PubMed:11775154]
[show Abstract]
Grilli S, Ancora G, Rani P, Valenti AM, Mazzullo M, Colacci A (1991)
In vivo unwinding fluorimetric assay as evidence of the damage induced by fenarimol and DNOC in rat liver DNA.
Journal of toxicology and environmental health 34, 485-494 [PubMed:1960763]
[show Abstract]
Last Modified
28 July 2014