Metconazole

CARAMBA · (1RS,5RS · METCONAZOLE · metaconazole · Metconazole 0 · Metconazole [iso] · [2H6]-Metconazole · C14955000 Metconazole

https://huagongshe.com/de/chemical/86210

Identifikatoren & physikalische Daten

CAS No.	125116-23-6
Summenformel	C17H22ClN3O
Durchschnittliche Molmasse	319,8 g/mol
Monoisotopische Masse	319,14514 g/mol
SMILES	CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1
InChIKey	XWPZUHJBOLQNMN-UHFFFAOYSA-N
PubChem CID	86210
ChEMBL	CHEMBL1883512
ChEBI	CHEBI:81773
EC No.	603-031-3
DTXSID	DTXSID4034497

Chemische & physikalische Eigenschaften

XLogP	3,7
Polarare Oberfläche (TPSA)	50,9
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	22
Formalladung	0
Komplexität	384
Pestizide	Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: ApprovedEnvironmental transformation -> Pesticides (parent, predecessor)FungicidesPesticide (Metconazole) -> USDA PDB
LogP (Verteilungskoeffizient)	3.93
Endocrine Disruptors	Potential endocrine disrupting compound
Collision Cross Section	169.1 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID4034497]168.62 Å² [M+H]+ [CCS Type: TW]185.36 Å² [M+Cl]-167.7 Å² [M+H]+ [CCS Type: TWIonization: GC-APCI+]
Schmelzpunkt	111.5°C
Siedepunkt	285°C (rough estimate)
Dichte	1.1888 (rough estimate)
Brechungsindex	1.5800 (estimate)
Lagerbedingungen	-20°C
Löslichkeit	Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
pKa (Säurekonstante)	13.82±0.60(Predicted)
BRN	8333708
Henry-Konstante	3.8×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Hauptanwendungen	agricultureenvironmental
InChI	InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
InChIKey	XWPZUHJBOLQNMN-UHFFFAOYSA-N
SMILES	C1(CN2C=NC=N2)(O)C(CC2=CC=C(Cl)C=C2)CCC1(C)C
EPA chemische Informationen	Metconazole (125116-23-6)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302: 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)DangerH302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)
Regulatorische Informationen	Commission Regulation (EC) No 451/2000Metconazole is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2006/74/EC, Reg. (EU) 2018/524, Reg. (EU) 2019/168, Reg. (EU) 2020/421, Reg. (EU) 2021/566, Reg. (EU) 2022/378, Reg. (EU) 2023/689, Reg. (EU) 2024/1749, Reg. (EU) 2026/398, Reg. (EU) No 540/2011, Reg. (EU) No 878/2014Cyclopentanol, 5-(4-chlorophenyl)methyl-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-: 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 (98.4%)Reproductive toxicity - category 2Repr. 2
RAIS Toxicity Values	0.3OPP0.04
USGS Health-Based Screening Levels for Evaluating Water-Quality	Metconazole66620Pesticide200Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
EPA Human Health Benchmarks for Pesticides	Metconazole0.38000Females 13-49 yrs0.04200
Wassergefährdungsklasse (WGK)	2

Anwendungen & Verwendung

Verwenden

Metconazole is an conazole based fungicide used for the control of black sigatoka disease on banana. Metconazole acts primarily as an inhibitor of ergosterol biosynthesis which interferes with the syn thesis of fungal cell membranes.