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

ChEBI IDCHEBI:39349
ChEBI Name4,6-dinitro-o-cresol
Stars
ASCII Name4,6-dinitro-o-cresol
DefinitionA hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6.
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H6N2O5
Net Charge0
Average Mass198.134
Monoisotopic Mass198.02767
SMILESCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3
InChIKeyZXVONLUNISGICL-UHFFFAOYSA-N
Roles Classification
Biological Role:
fungicide  A substance used to destroy fungal pests.
Applications:
fungicide  A substance used to destroy fungal pests.
herbicide  A substance used to destroy plant pests.
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or 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.
ChEBI Ontology
Outgoing Relation(s)
4,6-dinitro-o-cresol (CHEBI:39349) has functional parent o-cresol (CHEBI:28054)
4,6-dinitro-o-cresol (CHEBI:39349) has functional parent 2,4-dinitrophenol (CHEBI:42017)
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  Source
DNOCChemIDplus
3,5-dinitro-2-hydroxytolueneChemIDplus
AntinonninNIST Chemistry WebBook
4,6-dinitro-o-cresolNIST Chemistry WebBook
6-methyl-2,4-dinitrophenolNIST Chemistry WebBook
2,4-Dinitro-6-methylphenolKEGG COMPOUND
Manual XrefsDatabases
C18653KEGG COMPOUND
261PPDB
Registry NumbersSources
Reaxys:2054389Reaxys
CAS:534-52-1NIST Chemistry WebBook
CAS:534-52-1ChemIDplus
CAS:534-52-1KEGG COMPOUND
Citations