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Lactofen
COBRA · ppg844 · Phoenix · LACTOFEN · COBRA(R) · cobra (tm) · Lactofen (>cobraherbicide · Lactofen (>85%)
Identifikatoren & physikalische Daten
| CAS No. | 77501-63-4 |
|---|---|
| Summenformel | C19H15ClF3NO7 |
| Durchschnittliche Molmasse | 461,8 g/mol |
| Monoisotopische Masse | 461,048914 g/mol |
| SMILES | CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] |
| InChIKey | CONWAEURSVPLRM-UHFFFAOYSA-N |
| PubChem CID | 62276 |
| ChEMBL | CHEMBL1243178 |
| EC No. | 616-466-9 |
| DTXSID | DTXSID7024160 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 108 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 10 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 31 |
| Formalladung | 0 |
| Komplexität | 657 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds |
| Pestizide | Pesticide -> EPA IRISAgrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approvedPesticides -> Herbicides, Protox-InhibitingPesticide (Lactofen) -> USDA PDB |
| LogP (Verteilungskoeffizient) | log Kow = 4.81 |
| Dichte | 1.391 at 25 °C1.4660 (estimate) |
| Color/Form | Dark brown to tan |
| Löslichkeit | Solubility in isopropanol = 20%soluble in acetone and xyleneIn water, 0.1 mg/L at 25 °CChloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)110μg/L at 20℃ |
| Schmelzpunkt | 44-46 °Capproximate 48℃(dec.) |
| Dampfdruck | 0.00000007 [mmHg]7X10-8 mm Hg at 25 °C |
| Physical Description | Lactofen is a dark brown to tan solid. Insoluble in water. Used as an herbicide.Tan to dark brown solid[HSDB] Off-white solid[MSDSonline] |
| Collision Cross Section | 212.7 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID7024160] |
| Siedepunkt | 494.0±45.0 °C(Predicted) |
| Lagerbedingungen | 0-6°C |
| Henry-Konstante | 2.1×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3 |
| InChIKey | CONWAEURSVPLRM-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O |
| LogP (Verteilungskoeffizient) | 4.6 at 40℃ |
| CAS Datenbank | 77501-63-4(CAS DataBase Reference) |
| EPA chemische Informationen | Lactofen (77501-63-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (80.9%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 209 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Hazard Traits - CarcinogenicityLactofen is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2007/442REACH registered substance: Lactofen (EC: 616-466-9)Benzoic acid, 5-2-chloro-4-(trifluoromethyl)phenoxy-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| DOT-Kennzeichnung | Class 9 |
| Brandgefahren | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Gefahrenübersicht | The protox inhibitor herbicides (Fomesafen, Oxadiazon, Lactofen, Sulfentrazone, Carfentrazone-ethyl, Oxyfluorofen and Bifenox) can disrupt porphyrin metabolismIt has been speculated that a transient form of porphyria variegate may occur following a massive exposure or long-term exposure to lower doses. A mild skin and moderate eye irritant[HSDB] Moderate eye irritantUnlikely to be carcinogenic at low doses[Reference #1] See Fluthiacet-methyl. |
| Reaktive Gruppe | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
| Special Reports | USEPA/Office of Pesticide ProgramsReport of the Food Quality Protection Act (FQPA) Tolerance Reassessment Progress and Risk Management Decision (TRED) for Lactofen EPA 738-R-04-002 (September 2003). EPA issues a TRED for a pesticide that requires tolerance reassessment decisions, but does not require a reregistration eligibility decision at present because: the pesticide was initially registered after November 1, 1984, and by law is not included within the scope of the reregistration program |
Anwendungen & Verwendung
Verwenden
Lactofen is a complex ester derivative of Acifluoren, a diphenyl ether herbicide. Lactofen can be used in postemergence applications and is commonly used as foliar spray. Lactofen is used in agriculture to control broadleaved weeds in soybean, cereals, potatoes and peanuts.