| Record Information |
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| Version | 1.0 |
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| Creation Date | 2013-04-25 07:56:50 UTC |
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| Update Date | 2016-11-09 01:08:58 UTC |
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| Accession Number | CHEM002767 |
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| Identification |
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| Common Name | Chloridazon |
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| Class | Small Molecule |
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| 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. |
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| Contaminant Sources | - My Exposome Chemicals
- STOFF IDENT Compounds
- T3DB toxins
- ToxCast & Tox21 Chemicals
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| Contaminant Type | - Amide
- Amine
- Ester
- Herbicide
- Organic Compound
- Organochloride
- Pesticide
- Synthetic Compound
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 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 |
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| Chemical Formula | C10H8ClN3O |
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| Average Molecular Mass | 221.643 g/mol |
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| Monoisotopic Mass | 221.036 g/mol |
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| CAS Registry Number | 1698-60-8 |
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| IUPAC Name | 5-amino-4-chloro-2-phenyl-2,3-dihydropyridazin-3-one |
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| Traditional Name | chloridazon |
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| SMILES | NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1 |
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| 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 |
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| InChI Key | WYKYKTKDBLFHCY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as pyridazinones. Pyridazinones are compounds containing a pyridazine ring which bears a ketone. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Diazines |
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| Sub Class | Pyridazines and derivatives |
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| Direct Parent | Pyridazinones |
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| Alternative Parents | |
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| 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
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Exogenous |
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| Cellular Locations | |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Solid |
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| Appearance | White powder. |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| 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 |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | No indication of carcinogenicity to humans (not listed by IARC). |
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| Uses/Sources | This is a man-made compound that is used as a pesticide. |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | 81838 |
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| PubChem Compound ID | 15546 |
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| Kegg Compound ID | C18570 |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | |
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