| Record Information |
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| Version | 1.0 |
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| Creation Date | 2013-04-25 07:56:51 UTC |
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| Update Date | 2016-11-09 01:08:58 UTC |
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| Accession Number | CHEM002809 |
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| Identification |
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| Common Name | Fluroxypyr |
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| Class | Small Molecule |
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| Description | Fluroxypyr is an herbicide in the class of synthetic auxins. It is used to control broadleaf weeds and woody brush. It is formulated as the 1-methylheptyl ester (fluroxypyr-MHE). |
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| Contaminant Sources | - STOFF IDENT Compounds
- T3DB toxins
- ToxCast & Tox21 Chemicals
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| Contaminant Type | - Amine
- Ether
- Herbicide
- Organic Compound
- Organochloride
- Organofluoride
- Pesticide
- Synthetic Compound
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Dauko 433 | MeSH | | 4,5-Amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid | MeSH | | Starane 200 | MeSH |
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| Chemical Formula | C7H5Cl2FN2O3 |
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| Average Molecular Mass | 255.031 g/mol |
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| Monoisotopic Mass | 253.966 g/mol |
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| CAS Registry Number | 69377-81-7 |
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| IUPAC Name | 2-[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetic acid |
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| Traditional Name | fluroxypyr |
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| SMILES | NC1=C(Cl)C(OCC(O)=O)=NC(F)=C1Cl |
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| InChI Identifier | InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14) |
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| InChI Key | MEFQWPUMEMWTJP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pyridines and derivatives |
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| Sub Class | Halopyridines |
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| Direct Parent | Polyhalopyridines |
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| Alternative Parents | |
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| Substituents | - Polyhalopyridine
- Alkyl aryl ether
- Aminopyridine
- 2-halopyridine
- Aryl chloride
- Aryl fluoride
- Aryl halide
- Heteroaromatic compound
- Amino acid or derivatives
- Amino acid
- Azacycle
- Carboxylic acid derivative
- Carboxylic acid
- Ether
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Organohalogen compound
- Organochloride
- Organofluoride
- Organonitrogen compound
- Organooxygen compound
- Carbonyl group
- Primary amine
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Amine
- 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 | 232°C | | 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 | splash10-0udi-0290000000-844a92785850e04fc96b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udr-0090000000-a8049ecd817cdb572874 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00di-0900000000-4f0c479ddd892433e82f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0090000000-c7dc6e99257b3a55e00d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0kai-0390000000-bb1c76365ab3655b13d2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0019-1890000000-e002e91605c408d88a6a | Spectrum | | MS | Mass Spectrum (Electron Ionization) | splash10-053r-0940000000-2c1dc60db51914c248e5 | 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 | Fluroxypyr |
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| Chemspider ID | Not Available |
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| ChEBI ID | 82017 |
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| PubChem Compound ID | 50465 |
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| Kegg Compound ID | C18858 |
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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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