Pyriofenone
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
688046-61-9- Standard-SMILES
COc1cc(C)c(C(=O)c2c(OC)ncc(Cl)c2C)c(OC)c1OC- InChIKey
NMVCBWZLCXANER-UHFFFAOYSA-N- Summenformel
- C18H20ClNO5
- Durchschnittliche Molmasse
- 365,8 g/mol
- Monoisotopische Masse
- 365,1030004
Überblick
Pyriofenone is an aromatic ketone that is metrafenone in which the 3-bromo-6-methoxy-2-methylphenyl group is replaced by a 5-chloro-2-methoxy-4-methylpyridin-3-yl group. It is a fungicide developed for the control of powdery mildew in cereals and grape vines. It has a role as an antifungal agrochemical. It is an aromatic ether, a chloropyridine, an aromatic ketone and an aryl phenyl ketone fungicide.
Namen und Bezeichner
- Bevorzugter Name
- Pyriofenone
- IUPAC
- (5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
- Englischer Name
- IKF 309
- Summenformel
- C18H20ClNO5
- Molmasse
- 365.81
Namen und Synonyme
Pyriofenone688046-61-9Pyriofenone [ISO]IKF-309UNII-4ER76S8IFJ4ER76S8IFJ(5-chloro-2-methoxy-4-methylpyridin-3-yl)(2,3,4-trimethoxy-6-methylphenyl)methanone(5-chloro-2-methoxy-4-methyl-3-pyridinyl)(2,3,4-trimethoxy-6-methylphenyl)methanoneDTXSID8058162CHEBI:83346(5-chloro-2-methoxy-4-methyl-3-pyridyl)(4,5,6-trimethoxy-o-tolyl)methanoneRefChem:177777
Weitere Namen anzeigen
IKF 309（Pyriofenone）Pyriofenone SolutionPyriofenone 100 μg/mL in AcetonitrileMethanone, (5-chloro-2-methoxy-4-methyl-3-pyridinyl)(2,3,4-trimethoxy-6-methylphenyl)-
DTXCID4031930692-456-8(5-chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanoneIKF 3093-(2,3,4-Trimethoxy-6-methylbenzoyl)-5-chloro-2-methoxy-4-methylpyridineC18H20ClNO5SCHEMBL322562orb3135730
Datenbank-Bezeichner
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 66,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 451
Experimentelle und physikochemische Eigenschaften
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
Fungicides
Pesticide (Pyriofenone) -> USDA PDB
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 91 · 91-94°C
- Siedepunkt
- 519.8 · 519.8±50.0 °C(Predicted)
- Dichte
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- pka
- -0.8 · -0.80±0.28(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Henry's Law Constant
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
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Warning
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Commission Regulation (EU) No 188/2011
Pyriofenone is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Commission Regulation (EU) 2020/1566 , Dossier complete 2010/785/EU, Reg. (EU) 2018/155, Reg. (EU) 2020/2007, Reg. (EU) 2025/99, Reg. (EU) No 833/2013
Hazard Classes and Categories
Carc. 2 (100%)
Skin sensitisation - category 1B
Hazardous to the aquatic environment (Acute) - Category 2
Skin sensitization - Category 1B
Carc. 2
Toxikologische Informationen
RAIS Toxicity Values
0.091
OPP
EPA Human Health Benchmarks for Pesticides
Pyriofenone
0.091
540
General Population
Human Health Benchmarks for Pesticides - 2021 Update
Sicherheitsdaten
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationFungicides
Anwendungen
VerwendenIKF 309 is a fungicidal imidazole derivative use for controlling plant diseases caused by fungal plant pathogens.
Ergänzende Hinweise
DefinitionChEBI: An aromatic ketone that is metrafenone in which the 3-bromo-6-methoxy-2-methylphenyl group is replaced by a 5-chloro-2-methoxy-4-methylpyridin-3-yl group. It is a fungicide developed for the control of powdery mildew in cereals and grape vines.
Zugehörige Reaktionen
13
Notizen zur Verbindung
Wird geladen…