| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2014-08-29 06:51:43 UTC |
|---|
| Update Date | 2016-11-09 01:09:09 UTC |
|---|
| Accession Number | CHEM003471 |
|---|
| Identification |
|---|
| Common Name | Fluometuron |
|---|
| Class | Small Molecule |
|---|
| Description | Fluometuron is a soil applied herbicide used to control annual grasses and broad-leaved weeds. In the United States it was approved for use on cotton and sugarcane crops in 1974, but since 1986 is only approved for use on cotton. Its mode of action is selective and inhibits photosynthesis. |
|---|
| Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA Chemicals
- IARC Carcinogens Group 3
- My Exposome Chemicals
- STOFF IDENT Compounds
- T3DB toxins
- ToxCast & Tox21 Chemicals
|
|---|
| Contaminant Type | - Amine
- Herbicide
- Organic Compound
- Organofluoride
- Pesticide
- Synthetic Compound
|
|---|
| Chemical Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| Pakhtaron | MeSH | | 1,1-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea | MeSH | | Cotoran 80 WP | MeSH | | Fluometuron monohydrochloride | MeSH | | Fluometuron monoacetate | MeSH | | Ftormeturon | MeSH | | Cotoran | MeSH |
|
|---|
| Chemical Formula | C10H11F3N2O |
|---|
| Average Molecular Mass | 232.202 g/mol |
|---|
| Monoisotopic Mass | 232.082 g/mol |
|---|
| CAS Registry Number | 2164-17-2 |
|---|
| IUPAC Name | 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]urea |
|---|
| Traditional Name | fluometuron |
|---|
| SMILES | CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F |
|---|
| InChI Identifier | InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16) |
|---|
| InChI Key | RZILCCPWPBTYDO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as n-phenylureas. N-phenylureas are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Benzenoids |
|---|
| Class | Benzene and substituted derivatives |
|---|
| Sub Class | N-phenylureas |
|---|
| Direct Parent | N-phenylureas |
|---|
| Alternative Parents | |
|---|
| Substituents | - N-phenylurea
- Trifluoromethylbenzene
- Carbonic acid derivative
- Urea
- Alkyl fluoride
- Organic oxide
- Hydrocarbon derivative
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organofluoride
- Organohalogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Alkyl halide
- Aromatic homomonocyclic compound
|
|---|
| Molecular Framework | Aromatic homomonocyclic compounds |
|---|
| External Descriptors | |
|---|
| Biological Properties |
|---|
| Status | Detected and Not Quantified |
|---|
| Origin | Exogenous |
|---|
| Cellular Locations | - Cytoplasm
- Extracellular
- Nuclear Matrix
- Nuclear Membrane
- Nucleoplasm
|
|---|
| Biofluid Locations | Not Available |
|---|
| Tissue Locations | Not Available |
|---|
| Pathways | | Name | SMPDB Link | KEGG Link |
|---|
| Metabolic Pathways | Not Available | 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 | |
|---|
| Spectra |
|---|
| Spectra | | Spectrum Type | Description | Splash Key | View |
|---|
| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0090000000-b7e19543a9eb63333f13 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001a-7970000000-f78c1fd94e04aa1e6e7f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00lj-8930000000-898ac94ecb7ab0123084 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0090000000-df62b4173b30b82a24a7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0019-0980000000-6180c6b88ce75ff9f3b6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-3900000000-aa37147c5c14406421bc | Spectrum | | MS | Mass Spectrum (Electron Ionization) | splash10-00di-9010000000-595c455ca4dfeb6d5d45 | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | 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) | 3, not classifiable as to its carcinogenicity to humans. (1) |
|---|
| 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 | Fluometuron |
|---|
| Chemspider ID | Not Available |
|---|
| ChEBI ID | Not Available |
|---|
| PubChem Compound ID | 16562 |
|---|
| Kegg Compound ID | C18853 |
|---|
| YMDB ID | Not Available |
|---|
| ECMDB ID | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| MSDS | Not Available |
|---|
| General References | Not Available |
|---|
