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

ETACONAZOL · benit · sonax · C11293 · vangard · cga64251 · ETACONAZOLE · Etaconazole 0

Identifikatoren & physikalische Daten

CAS No.	60207-93-4
Summenformel	C14H15Cl2N3O2
Durchschnittliche Molmasse	328,2 g/mol
Monoisotopische Masse	327,0541321 g/mol
SMILES	CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
InChIKey	DWRKFAJEBUWTQM-UHFFFAOYSA-N
PubChem CID	91673
ChEMBL	CHEMBL270271
ChEBI	CHEBI:4874
EC No.	262-107-0
DTXSID	DTXSID2041913
Lokaler Name	1-[[2-(2,4-Dichlorphenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazol

XLogP	3
Polarare Oberfläche (TPSA)	49,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	4
Schwere Atome	21
Formalladung	0
Komplexität	363
Kovats Retention Index	2210.52218.92261.62253.9
Collision Cross Section	175.4 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID2041913]174.1 Å² [M+H]+ [CCS Type: DTIonization: ESI+189.3 Å² [M+Na]+ [CCS Type: DT
Schmelzpunkt	75-93℃
Siedepunkt	470.2±55.0 °C(Predicted)
Dichte	1.5146 (rough estimate)
Brechungsindex	1.6070 (estimate)
Lagerbedingungen	-20°C
pKa (Säurekonstante)	2.94±0.12(Predicted)
Henry-Konstante	7.9×103 mol/(m3Pa) at 25℃, MacBean (2012)
Hauptanwendungen	agricultureenvironmental
InChI	1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3
InChIKey	DWRKFAJEBUWTQM-UHFFFAOYSA-N
SMILES	CCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl
EPA chemische Informationen	Etaconazole (60207-93-4)

GHS-Einstufung	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.Reported as not meeting GHS hazard criteria per 3 of 32 reports by companies.There are 2 notifications provided by 29 of 32 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Weitere Sicherheitsinformationen	IMAP assessments - 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-: Human health tier I assessmentIMAP assessments - 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-: Environment tier I assessment
Hazard Classes and Categories	Aquatic Chronic 2 (87.5%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	29349990
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral

Etaconazol is a pesticide and fungicide.