ContaminantDB: Chloridazon

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (4)XML

Record Information

Version

1.0

Creation Date

2013-04-25 07:56:50 UTC

Update Date

2026-03-31 17:22:32 UTC

Accession Number

CHEM002767

Identification

Common Name

Chloridazon

Class

Small 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

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Chloridazone	ChEBI
Clorizol	ChEBI
Curbetan	ChEBI
Pyrazon	ChEBI
Pyrazonl	ChEBI
Phenazon	MeSH
1-Phenyl-4-amino-5-chloropyridazin-6-one	MeSH
Pyramin	MeSH
PAC herbicide	MeSH
Chlordiazon	MeSH

Chemical Formula

C₁₀H₈ClN₃O

Average Molecular Mass

221.643 g/mol

Monoisotopic Mass

221.036 g/mol

CAS Registry Number

1698-60-8

IUPAC Name

5-amino-4-chloro-2-phenyl-2,3-dihydropyridazin-3-one

Traditional Name

chloridazon

SMILES

NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1

InChI Identifier

InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2

InChI Key

WYKYKTKDBLFHCY-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.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazines

Sub Class

Pyridazines and derivatives

Direct Parent

Pyridazinones

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 Framework

Aromatic heteromonocyclic compounds

External Descriptors

organochlorine compound (CHEBI:81838 )
primary amino compound (CHEBI:81838 )
pyridazinone (CHEBI:81838 )
benzenes (CHEBI:81838 )
Pesticides (C18570 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Extracellular

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.4 g/L	ALOGPS
logP	0.95	ALOGPS
logP	1.11	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Basic)	-1.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	58.69 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	59.05 m³·mol⁻¹	ChemAxon
Polarizability	21.16 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00di-0190000000-499ab271b2220d999ccc	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-0190000000-e94c9fa1186c77da4154	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-9100000000-51ce14b4d625e2244bf9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00di-0290000000-cb9ca1a52809502bde50	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0uk9-1960000000-8054f0e2cf7b35a123a6	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00kf-9800000000-4b5b9c0ddf6f6ce12650	Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-00fr-9150000000-169ea799def095dc3980	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

No indication of carcinogenicity to humans (not listed by IARC).

Uses/Sources

This is a man-made compound that is used as a pesticide.

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

Not Available

ChEBI ID

81838

PubChem Compound ID

15546

Kegg Compound ID

C18570

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not 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

Chloridazon (CHEM002767)

Structure for CHEM002767: Chloridazon