1-[[2-(2,4-Dichlorphenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazol
Etaconazole
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Grundinformationen
- CAS
60207-93-4- Standard-SMILES
CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1- InChIKey
DWRKFAJEBUWTQM-UHFFFAOYSA-N- Summenformel
- C14H15Cl2N3O2
- Durchschnittliche Molmasse
- 328,2 g/mol
- Monoisotopische Masse
- 327,0541321
Überblick
Etaconazole is a member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2,4-dichlorophenyl and 1,2,4-triazol-1-ylmethyl groups and at position 4 by an ethyl group. An obsolete fungicide that was used to control powdery mildew on fruit and other crops. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a dichlorobenzene, a member of triazoles, a dioxolane, a cyclic ketal, a conazole fungicide and a triazole fungicide.
Namen und Bezeichner
- Bevorzugter Name
- Etaconazole
- IUPAC
- 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
- Lokaler Name
- 1-[[2-(2,4-Dichlorphenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazol
- Englischer Name
- ETACONAZOLE
- Summenformel
- C14H15Cl2N3O2
- Molmasse
- 328.19
Namen und Synonyme
Etaconazole60207-93-4SonaxCGA 64251DTXSID20419133MT15AE9VGCGA-642511-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole1-((2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazoleCHEBI:4874DTXCID00219131-[[2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole
Weitere Namen anzeigen
benitC11293vangardcga64251Etaconazole 0C13215000 EtaconazolePicoxystrobin Impurity 9
1-{[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole1H-1,2,4-Triazole, 1-((2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1-((2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1,2,4-triazoleRefChem:591345262-107-0630-449-3Etaconazol
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 49,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 363
Experimentelle und physikochemische Eigenschaften
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
LogP3.03
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section175.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2041913]
Physikochemische Eigenschaften
- Schmelzpunkt
- 75 · 75-93℃
- Siedepunkt
- 470.2 · 470.2±55.0 °C(Predicted)
- Dichte
- 1.5146 · 1.5146 (rough estimate)
- Brechungsindex
- 1.607 · 1.6070 (estimate)
- storage temp.
- -20 °C · -20°C
- pka
- 2.94 · 2.94±0.12(Predicted)
- Henry's Law Constant
- 7.9 · 7.9×103 mol/(m3Pa) at 25℃, MacBean (2012)
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
This chemical does not meet GHS hazard criteria for 9.4% (3 of 32) of reports.
H411 (87.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 32 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Other Safety InformationIMAP assessments - 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 2 (87.5%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 29349990
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Anwendungen
VerwendenEtaconazol is a pesticide and fungicide.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Ergänzende Hinweise
DefinitionChEBI: A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2,4-dichlorophenyl and 1,2,4-triazol-1-ylmethyl groups and at position 4 by an ethyl group. An obsolete fungicide that was used to control powdery mildew on fruit and ot er crops.
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