Record Information |
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Version | 2.0 |
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Creation Date | 2013-04-25 07:56:51 UTC |
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Update Date | 2014-12-24 20:26:33 UTC |
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Accession Number | T3D3841 |
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Identification |
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Common Name | Fluazifop-P-butyl |
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Class | Small Molecule |
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Description | Fluazifop-p-butyl is a selective phenoxy herbicide used for postemergence control of annual and perennial grass weeds. It is used on soybeans and other broad-leaved crops such as carrots, spinach, potatoes, and ornamentals. Fluazifop-p-butyl is a general use pesticide. Fluazifop-p-butyl is a different compound than either fluazifop or fluazifop butyl. Both the chemical structures and the toxicities of these compounds are different. Fluazifop-p-butyl formulations can contain some fluazifop-butyl. Fluazifop-p-butyl is a slightly toxic compound. A single ingested dose can cause severe stomach and intestine disturbance. Ingestion of large quantities may cause problems in the central nervous system such as drowsiness, dizziness, loss of coordination and fatigue. Breathing small amounts of the product may cause vomiting and severe lung congestion. |
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Compound Type | - Ester
- Ether
- Herbicide
- Household Toxin
- Organic Compound
- Organofluoride
- Pesticide
- Synthetic Compound
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Chemical Structure | |
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Synonyms | Synonym | 2-(4-((5-(Trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoic acid butyl ester | 2-(4-((5-(Trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoic acid, butyl ester | 2-[4-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic Acid Butyl Ester | Butyl (RS)-2-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoate | Butyl 2-(4-((5-(trifluoromethyl)-2-pyridyl)oxy)phenoxy)propionate | Butyl 2-(4-([5-(trifluoromethyl)-2-pyridinyl]oxy)phenoxy)propanoate | Butyl 2-(4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}phenoxy)propanoate | Butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate | Butyl 2-[4-(5-Trifluoromethyl-2-pyridyloxy)phenoxy]propionate | Fluazifop butyl | Fluazifop-p butyl | Fusilade | Halokon | Onecide |
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Chemical Formula | C19H20F3NO4 |
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Average Molecular Mass | 383.362 g/mol |
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Monoisotopic Mass | 383.134 g/mol |
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CAS Registry Number | 79241-46-6 |
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IUPAC Name | butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate |
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Traditional Name | butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate |
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SMILES | CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 |
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InChI Identifier | InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1 |
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InChI Key | InChIKey=VAIZTNZGPYBOGF-CYBMUJFWSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as 2-phenoxypropionic acid esters. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid ester. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | 2-phenoxypropionic acid esters |
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Direct Parent | 2-phenoxypropionic acid esters |
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Alternative Parents | |
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Substituents | - 2-phenoxypropionic acid ester
- Diaryl ether
- Phenoxyacetate
- Phenoxy compound
- Phenol ether
- Alkyl aryl ether
- Pyridine
- Heteroaromatic compound
- Carboxylic acid ester
- Organoheterocyclic compound
- Azacycle
- Carboxylic acid derivative
- Ether
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organonitrogen compound
- Organofluoride
- Organohalogen compound
- Organooxygen compound
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Organic oxide
- Carbonyl group
- Alkyl halide
- Alkyl fluoride
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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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 | LogP | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | Deposition Date | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-053r-3029000000-c312c444eab9c43d83aa | 2016-08-03 | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9153000000-d99dadceeec0ca78424b | 2016-08-03 | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9360000000-3f78140c08d4f0d117df | 2016-08-03 | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-053r-3029000000-1b86d11702527cf3de3e | 2016-08-03 | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0pb9-4159000000-2b1c64be8de56e530025 | 2016-08-03 | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0pb9-2940000000-ce12649a421bf1c5defc | 2016-08-03 | View 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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Normal Concentrations |
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| Not Available |
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Abnormal 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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PubChem Compound ID | 3033674 |
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ChEMBL ID | CHEMBL1864569 |
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ChemSpider ID | 2298297 |
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KEGG ID | Not Available |
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UniProt ID | Not Available |
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OMIM ID | |
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ChEBI ID | Not Available |
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BioCyc ID | Not Available |
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CTD ID | Not Available |
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Stitch ID | Not Available |
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PDB ID | Not Available |
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ACToR ID | Not Available |
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Wikipedia Link | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | T3D3841.pdf |
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General References | Not Available |
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Gene Regulation |
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Up-Regulated Genes | Not Available |
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Down-Regulated Genes | Not Available |
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