CHEBI:81821 - ioxynil

ChEBI IDCHEBI:81821
ChEBI Nameioxynil
Stars
DefinitionA nitrile that is benzonitrile substituted by a hydroxy group at position 4 and iodo groups at positions 3 and 5.
Last Modified4 November 2014
DownloadsMolfile
FormulaC7H3I2NO
Net Charge0
Average Mass370.915
Monoisotopic Mass370.83041
SMILESN#Cc1cc(I)c(O)c(I)c1
InChIInChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKeyNRXQIUSYPAHGNM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
ioxynil (CHEBI:81821) has role environmental contaminant (CHEBI:78298)
ioxynil (CHEBI:81821) has role herbicide (CHEBI:24527)
ioxynil (CHEBI:81821) has role xenobiotic (CHEBI:35703)
ioxynil (CHEBI:81821) is a iodophenol (CHEBI:24863)
ioxynil (CHEBI:81821) is a nitrile (CHEBI:18379)
IUPAC Name 
4-hydroxy-3,5-diiodobenzonitrile
Synonyms  Source
BentrolChemIDplus
LoxynilChemIDplus
ActrilChemIDplus
Manual XrefsDatabases
C18546KEGG COMPOUND
ioxynilAlan Wood's Pesticides
402PPDB
Registry NumbersSources
Reaxys:2364041Reaxys
CAS:1689-83-4KEGG COMPOUND
CAS:1689-83-4ChemIDplus
Citations