Chloridazon (CHEM002767)

Record Information
Version1.0
Creation Date2013-04-25 07:56:50 UTC
Update Date2026-08-18 05:04:48 UTC
Accession NumberCHEM002767
Identification
Common NameChloridazon
ClassSmall Molecule
Description
Chloridazon is a selective herbicide belonging to the group of pyridazone - derivatives , which was put on the market by BASF in the 1960s and used mainly in beet cultivation to control annual broad-leafed weeds. It acts by inhibiting photosynthesis and the Hill reaction and is rapidly absorbed through the roots of plants with tranlocation acropetally to all plant parts.
Contaminant Sources
  • My Exposome Chemicals
  • STOFF IDENT Compounds
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Amide
  • Amine
  • Ester
  • Herbicide
  • Organic Compound
  • Organochloride
  • Pesticide
  • Synthetic Compound
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
ChloridazoneChEBI
ClorizolChEBI
CurbetanChEBI
PyrazonChEBI
PyrazonlChEBI
PhenazonMeSH
1-Phenyl-4-amino-5-chloropyridazin-6-oneMeSH
PyraminMeSH
PAC herbicideMeSH
ChlordiazonMeSH
Chemical FormulaC10H8ClN3O
Average Molecular Mass221.643 g/mol
Monoisotopic Mass221.036 g/mol
CAS Registry Number1698-60-8
IUPAC Name5-amino-4-chloro-2-phenyl-2,3-dihydropyridazin-3-one
Traditional Namechloridazon
SMILESNC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1
InChI IdentifierInChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
InChI KeyWYKYKTKDBLFHCY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyridazinones. Pyridazinones are compounds containing a pyridazine ring which bears a ketone.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyridazines and derivatives
Direct ParentPyridazinones
Alternative Parents
Substituents
  • Aminopyridazine
  • Pyridazinone
  • Aryl chloride
  • Aryl halide
  • Monocyclic benzene moiety
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous amide
  • Lactam
  • Azacycle
  • Amine
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.4 g/LALOGPS
logP0.95ALOGPS
logP1.11ChemAxon
logS-2.8ALOGPS
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area58.69 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity59.05 m³·mol⁻¹ChemAxon
Polarizability21.16 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesThis is a man-made compound that is used as a pesticide.
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI ID81838
PubChem Compound ID15546
Kegg Compound IDC18570
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=22575008
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=23562547
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=25149238