CHEBI:81821 - ioxynil

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ioxynil
ChEBI ID CHEBI:81821
Definition A nitrile that is benzonitrile substituted by a hydroxy group at position 4 and iodo groups at positions 3 and 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H3I2NO
Net Charge 0
Average Mass 370.91380
Monoisotopic Mass 370.830
InChI InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKey NRXQIUSYPAHGNM-UHFFFAOYSA-N
SMILES Oc1c(I)cc(cc1I)C#N
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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(s): herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
Actril ChemIDplus
Bentrol ChemIDplus
Loxynil ChemIDplus
Manual Xrefs Databases
402 PPDB
C18546 KEGG COMPOUND
ioxynil Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
1689-83-4 CAS Registry Number ChemIDplus
2364041 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22893975 PubMed citation Europe PMC
24449421 PubMed citation Europe PMC
Last Modified
04 November 2014
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag