Picoxystrobin
Grundinformationen
- CAS
117428-22-5- Standard-SMILES
CO/C=C(/C(=O)OC)c1ccccc1COc1cccc(C(F)(F)F)n1- InChIKey
IBSNKSODLGJUMQ-SDNWHVSQSA-N- Summenformel
- C18H16F3NO4
- Durchschnittliche Molmasse
- 367,3 g/mol
- Monoisotopische Masse
- 367,10314265
Überblick
Picoxystrobin is an enoate ester that is the methyl ester of (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-2-enoic acid. A cereal fungicide used to control a wide range of diseases including brown rust, tan spot, powdery mildew and net blotch. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is a member of pyridines, an aromatic ether, an organofluorine compound, an enol ether, an enoate ester and a methoxyacrylate strobilurin antifungal agent.
Namen und Bezeichner
- Bevorzugter Name
- Picoxystrobin
- IUPAC
- methyl (E)-3-methoxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]prop-2-enoate
- Englischer Name
- Picoxystrobin
- Summenformel
- C18H16F3NO4
- Molmasse
- 367.32
Namen und Synonyme
Picoxystrobin117428-22-5DTXSID904754262DH7GEL1PDTXCID7027542CHEBI:83197methyl (2E)-3-methoxy-2-(2-(6-(trifluoromethyl)-2-pyridyloxymethyl)phenyl)acrylatemethyl (2E)-3-methoxy-2-{2-[6-(trifluoromethyl)-2-pyridyloxymethyl]phenyl}acrylatemethyl (alphaE)-alpha-(methoxymethylene)-2-(((6-(trifluoromethyl)-2-pyridinyl)oxy)methyl)benzeneacetatemethyl (alphaE)-alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]benzeneacetateRefChem:174175Picoxystrobin [ISO]
Weitere Namen anzeigen
METHYL (E)-ALPHA-METHOXYMETHYLENE-2-(3-TRIFLUOROMETHYL-2-PYRIDYLOXYMETHYL)PHENYLACETATEMethyl (E)-3-methoxy-2-(2-(((6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)phenyl)acrylateACANTOZA196350%PicoxystrobinPicoxystrobin 96%Picoxystrobin 98%minPicoxystrobin Solution
Methyl (E)-3-methoxy-2-[2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]phenyl]prop-2-enoate(E)-Methyl 3-methoxy-2-(2-(((6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)phenyl)acrylatemethyl (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-2-enoateBenzeneacetic acid, alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (alphaE)-UNII-62DH7GEL1PMFCD04112618Picoxystrobin (Standard)PICOXYSTROBIN [MI]
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 57,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 495
Experimentelle und physikochemische Eigenschaften
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Environmental transformation -> Pesticides (parent, predecessor)
Fungicides
Pesticide (Picoxystrobin) -> USDA PDB
Human DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
179.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9047542]
177.5 Ų [M+H]+ [CCS Type: TW]
Physikochemische Eigenschaften
- Schmelzpunkt
- 75 ° · 75°
- Siedepunkt
- 453.1 · 453.1±45.0 °C(Predicted)
- Dichte
- 20 · d20 1.4
- Dampfdruck
- 34 hPa · 34hPa at 20℃
- storage temp.
- -20 °C · Store at -20°C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H319 (98.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P261, P264+P265, P271, P273, P280, P304+P340, P305+P351+P338, P317, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Commission Regulation No 844/2012
Picoxystrobin is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
03/84/EC, Reg. (EU) 2016/950, Reg. (EU) 2017/1455, Reg. (EU) No 540/2011, Reg. (EU) No 823/2012
Status: Active Update: 15-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21001
Picoxystrobin: 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.
Hazard Classes and CategoriesEye Irrit. 2 (98.9%)
Toxikologische Informationen
RAIS Toxicity Values
0.2
OPP
0.046
OPP
EPA Human Health Benchmarks for Pesticides
Picoxystrobin
0.2
1000
Children
0.046
270
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationChemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.
Verwendung und Herstellung
Use Classification
Pharmaceuticals
Environmental transformation -> Pesticides (parent, predecessor)
Fungicides
Anwendungen
BeschreibungPicoxystrobin (methyl (E)-3-methoxy-2-[22(6-trifluoromethyl- 2-pyridyloxymethyl)phenyl]acrylate from Zeneca Agrochemicals (now Syngenta Crop Protection) was first described by Godwin et al. (33), and is being developed for broad-spectrum control of cereal diseases. The redistribution properties of the molecule, which combine xylem systemicity and vapor phase activity, are considered important in achieving high levels of control of a range of diseases. Picoxystrobin has favorable safety and environmental profiles, and enhances grain yield and quality.
VerwendenPicoxystrobin is an methoxyacrylate strobilurin fungicide designed for the control of wide range of cereal diseases.
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