1-((2-(2,4-Dichlorphenyl)-1,3-dioxolan-2-yl)-methyl)-1H-1,2,4-triazol
Azaconazole
Grundinformationen
- CAS
60207-31-0- Standard-SMILES
Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1- InChIKey
AKNQMEBLVAMSNZ-UHFFFAOYSA-N- Summenformel
- C12H11Cl2N3O2
- Durchschnittliche Molmasse
- 300,14 g/mol
- Monoisotopische Masse
- 299,022832
Überblick
Azaconazole 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. A fungicide used mainly in ornamental crops to control canker and other diseases. Azaconazole is moderately toxic to mammals but is not expected to bioaccumulate. It is moderately toxic to birds, fish and aquatic invertebrates. 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
- Azaconazole
- IUPAC
- 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
- Lokaler Name
- 1-((2-(2,4-Dichlorphenyl)-1,3-dioxolan-2-yl)-methyl)-1H-1,2,4-triazol
- Englischer Name
- Azaconazole
- Summenformel
- C12H11Cl2N3O2
- Molmasse
- 300.14
Namen und Synonyme
AZACONAZOLE60207-31-0AzaconazolAzaconazolum1-((2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazoleDTXSID3041613R-2864445683D94EUR-28,644DTXCID1021613CHEBI:818981H-1,2,4-Triazole, 1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-
Weitere Namen anzeigen
RODEWODAids108350azoconozoleSAFETRAY SLAids-108350Azaconazol, Vetranal
1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1-[[2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole1-{[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazoleRefChem:560433262-102-3MaduroxAzoconazole1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Datenbank-Bezeichner
- CAS
60207-31-0- PubChem CID
- 43233
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 49,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 315
Experimentelle und physikochemische Eigenschaften
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Not approved
Fungicides
Pesticide (Azaconazole) -> USDA PDB
LogP2.32
Human DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
165.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3041613]
160.93 Ų [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
171.64 Ų [M+HCOO]-
Physikochemische Eigenschaften
- Schmelzpunkt
- 109.9 ° · 109.9°
- Siedepunkt
- 460.7 · 460.7±55.0 °C(Predicted)
- Dichte
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- Dampfdruck
- 8.6 x · 8.6 x l0-6 Pa (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
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
2002/2076
Azaconazole: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-: Environment tier I assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Sicherheitsdaten
- wgk
- 1
- hs_code
- 29349990
- RTECS-Nr.
- XZ4605000
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 46
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Pharmaceuticals
Fungicides
Anwendungen
VerwendenAzaconazole is particularly active against wood-destroying and sapstain fungi. It is also used as a disinfectant in mushroom cultivation and on storage boxes for fruit and vegetables.
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. A fungicide used mainly in ornamental crops to control canker and other diseases. Azaconazole is moderately toxic to mammals but is not expected to bioaccumulate. It is moderately toxic to birds, fish and aquatic invertebrates.
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