1-((2-(2,4-Dichlorphenyl)-1,3-dioxolan-2-yl)-methyl)-1H-1,2,4-triazol

RODEWOD · madurox · R-28644 · Aids108350 · azoconozole · SAFETRAY SL · AZACONAZOLE · AZOCONAZOLE

https://huagongshe.com/de/chemical/43233

Molekülstruktur von 1-((2-(2,4-Dichlorphenyl)-1,3-dioxolan-2-yl)-methyl)-1H-1,2,4-triazol

Identifikatoren & physikalische Daten

CAS No.	60207-31-0
Summenformel	C12H11Cl2N3O2
Durchschnittliche Molmasse	300,14 g/mol
Monoisotopische Masse	299,022832 g/mol
SMILES	Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1
InChIKey	AKNQMEBLVAMSNZ-UHFFFAOYSA-N
PubChem CID	43233
ChEMBL	CHEMBL261627
ChEBI	CHEBI:81898
EC No.	262-102-3
DTXSID	DTXSID3041613
Lokaler Name	1-((2-(2,4-Dichlorphenyl)-1,3-dioxolan-2-yl)-methyl)-1H-1,2,4-triazol

Chemische & physikalische Eigenschaften

XLogP	2,3
Polarare Oberfläche (TPSA)	49,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	3
Schwere Atome	19
Formalladung	0
Komplexität	315
Collision Cross Section	165.9 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3041613]166.6 Å² [M+H]+ [CCS Type: DTIonization: APCI+171.64 Å² [M+HCOO]-162.88 Å² [M+H]+160.93 Å² [M+H]+ [CCS Type: TWIonization: GC-APCI+]
Schmelzpunkt	109.9°
Siedepunkt	460.7±55.0 °C(Predicted)
Dichte	1.51±0.1 g/cm3(Predicted)
Dampfdruck	8.6 x l0-6 Pa (20 °C)
Lagerbedingungen	0-6°C
Löslichkeit	300 mg l-1 (20 °C)
pKa (Säurekonstante)	2.94±0.12(Predicted)
Henry-Konstante	5.1×104 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Hauptanwendungen	agricultureenvironmental
InChI	1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2
InChIKey	AKNQMEBLVAMSNZ-UHFFFAOYSA-N
SMILES	Clc1ccc(c(Cl)c1)C3(Cn2cncn2)OCCO3
CAS Datenbank	60207-31-0(CAS DataBase Reference)
EPA chemische Informationen	Azaconazole (60207-31-0)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Regulatorische Informationen	2002/2076Azaconazole: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	IMAP assessments - 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-: Environment tier I assessmentIMAP assessments - 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-: Human health tier I assessment
Hazard Classes and Categories	Acute Tox. 4 (100%)Acute toxicity - category 4Acute Tox. 4 *
Wassergefährdungsklasse (WGK)	1
Zollcode	29349990
RTECS-Nr.	XZ4605000
R-Sätze (R)	22
Gefahrensymbole	Xn
Sicherheitshinweise (S)	46
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral

Anwendungen & Verwendung

Verwenden

Azaconazole 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.