Flusilazole
Grundinformationen
- CAS
85509-19-9- Standard-SMILES
C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1- InChIKey
FQKUGOMFVDPBIZ-UHFFFAOYSA-N- Summenformel
- C16H15F2N3Si
- Durchschnittliche Molmasse
- 315,39 g/mol
- Monoisotopische Masse
- 315,10033035
Überblick
Flusilazole is an organosilicon compound that is dimethylsilane in which the hydrogens attached to the silicon are replaced by p-fluorophenyl groups and a hydrogen attached to one of the methyl groups is replaced by a 1H-1,2,4-triazol-1-yl group. It is a broad-sepctrum fungicide used to protect a variety of crops. It has a role as a xenobiotic, an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor, an environmental contaminant and an antifungal agrochemical. It is an organosilicon compound, a member of triazoles, a member of monofluorobenzenes, a conazole fungicide and a triazole fungicide.
Namen und Bezeichner
- Bevorzugter Name
- Flusilazole
- IUPAC
- bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
- Englischer Name
- Flusilazole
- Summenformel
- C16H15F2N3Si
- Molmasse
- 315.4
Namen und Synonyme
Flusilazole85509-19-9NustarFlusilazolOlympPunchFluzilazolSanctionDPX-H 6573DTXSID3024235F3WG2VVD87Bis(4-fluorophenyl)methyl(1H-1,2,4-triazol-1-ylmethyl)silane
Weitere Namen anzeigen
FlusiazoleMTDHLyric3D3AEG1Cursor
DPX-H65731-((Bis(4-fluorophenyl)(methyl)silyl)methyl)-1H-1,2,4-triazoleDTXCID704235CHEBI:819221-{[bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole1H-1,2,4-Triazole, 1-((bis(4-fluorophenyl)methylsilyl)methyl)-bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-
Datenbank-Bezeichner
- CAS
85509-19-9- PubChem CID
- 73675
- DTXSID
DTXSID3024235- ChEMBL
CHEMBL1900522- ChEBI
CHEBI:81922- UNII
- F3WG2VVD87
- EC Number
- 617-717-5
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 30,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 333
Experimentelle und physikochemische Eigenschaften
Pesticides
Pesticide -> EPA IRIS
Fungicides
Active substance -> EU Pesticides database: Not approved
Fungicides
Pesticide (Flusilazole) -> USDA PDB
LogP3.70
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point48 °C
Physical DescriptionSolid
Ionization Efficiency
Positive
3.88
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section174.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3024235]
Physikochemische Eigenschaften
- Schmelzpunkt
- 55 ° · 55°
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
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Hazard Traits - Reproductive Toxicity
Regulation (EC) No 396/2005 (amended)
Flusilazole is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
06/133/EC, Reg. (EU) 2022/801, Reg. (EU) No 540/2011
Flusilazole: 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 Categories
Acute Tox. 4 (100%)
Carcinogenicity - category 2
Carc. 2
Toxikologische Informationen
Target OrgansHepatic
Health EffectsFlusilazole can cause testicular Leydig-cell tumours and bladder tumours in rats and hepatocellular tumours in mouse. An increased gestation length and increased placental weight have been found in the reproductive toxicity studies.
Toxicity Summary
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.
Cellular LocationsMembrane
Verwendung und Herstellung
UsesThis is a man-made compound that is used as a pesticide.
Use ClassificationFungicides
Anwendungen
VerwendenFlusilazole is a silicon-containing triazole fungicide. Flusilazole is used to control fungal infections on a variety of fruit and vegetable crops
Vor- und nachgelagerte Produkte
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