Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:81838 - chloridazon
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
chloridazon
ChEBI ID
CHEBI:81838
Definition
A pyridazinone that is pyridazin-3(2
H
)-one substituted by an amino group at position 5, a chloro group at position 4 and a phenyl group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
ChemicalBook:CB2724915
,
eMolecules:509860
,
ZINC000000097471
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C10H8ClN3O
Net Charge
0
Average Mass
221.64300
Monoisotopic Mass
221.03559
InChI
InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
InChIKey
WYKYKTKDBLFHCY-UHFFFAOYSA-N
SMILES
Nc1cnn(-c2ccccc2)c(=O)c1Cl
Roles Classification
Chemical Role
(s):
environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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
chloridazon (
CHEBI:81838
)
has role
environmental contaminant (
CHEBI:78298
)
chloridazon (
CHEBI:81838
)
has role
herbicide (
CHEBI:24527
)
chloridazon (
CHEBI:81838
)
has role
xenobiotic (
CHEBI:35703
)
chloridazon (
CHEBI:81838
)
is a
benzenes (
CHEBI:22712
)
chloridazon (
CHEBI:81838
)
is a
organochlorine compound (
CHEBI:36683
)
chloridazon (
CHEBI:81838
)
is a
primary amino compound (
CHEBI:50994
)
chloridazon (
CHEBI:81838
)
is a
pyridazinone (
CHEBI:26414
)
IUPAC Name
5-amino-4-chloro-2-phenylpyridazin-3(2
H
)-one
Synonyms
Sources
chloridazone
NIST Chemistry WebBook
Clorizol
ChemIDplus
Curbetan
ChemIDplus
pyrazon
NIST Chemistry WebBook
Pyrazonl
ChemIDplus
Manual Xrefs
Databases
141
PPDB
C18570
KEGG COMPOUND
chloridazon
Alan Wood's Pesticides
NZ244108
Patent
View more database links
Registry Numbers
Types
Sources
1698-60-8
CAS Registry Number
NIST Chemistry WebBook
1698-60-8
CAS Registry Number
ChemIDplus
397241
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22575008
PubMed citation
Europe PMC
23562547
PubMed citation
Europe PMC
25149238
PubMed citation
Europe PMC
Last Modified
10 November 2014
General Comment
2014-10-29
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag