Fenpropimorph

fenpropimorf · Corbel[R] · Mistral[R] · Fenpropimorph · Ro 14-3169/000 · Einecs 266-719-9 · cis-fenpropimorph · Allethrin Impurity 8

https://huagongshe.com/de/chemical/93365

Identifikatoren & physikalische Daten

CAS No.	67564-91-4
Summenformel	C20H33NO
Durchschnittliche Molmasse	303,5 g/mol
Monoisotopische Masse	303,25621468 g/mol
SMILES	CC(Cc1ccc(C(C)(C)C)cc1)CN1C[C@@H](C)O[C@@H](C)C1
InChIKey	RYAUSSKQMZRMAI-ALOPSCKCSA-N
PubChem CID	93365
ChEMBL	CHEMBL372700
ChEBI	CHEBI:143732
EC No.	266-719-9
DTXSID	DTXSID4034601
Lokaler Name	Fenpropimorph

Chemische & physikalische Eigenschaften

XLogP	5,2
Polarare Oberfläche (TPSA)	12,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	5
Schwere Atome	22
Formalladung	0
Komplexität	317
Pestizide	FungicidesActive substance -> EU Pesticides database: Not approvedEnvironmental transformation -> Pesticides (parent, predecessor)Pesticide (Fenpropimorph) -> USDA PDB
LogP (Verteilungskoeffizient)	4.93
Human Drugs	Pharmaceuticals
Ionization Efficiency	Positive4.62.7Agilent XCTElectrospray ionizationformic acid (5.3nM)
Dissociation Constants	7.34
Collision Cross Section	173.1 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID4034601]174.7 Å² [M+H]+ [CCS Type: TWIonization: GC-APCI+]175.62 Å² [M+H]+
Schmelzpunkt	25°C
Siedepunkt	444.4°C (rough estimate)
Dichte	0.9804 (rough estimate)
Dampfdruck	0.004Pa at 20℃
Brechungsindex	1.5614 (estimate)
Flammpunkt	>100 °C
Lagerbedingungen	Store at -20°C
Löslichkeit	DMF: 15 mg/ml,DMSO: 5 mg/ml,Ethanol: 15 mg/ml,Ethanol:PBS (pH 7.2)(1:2): 0.3 mg/ml4.32mg/L at 20℃
Aggregatzustand	A neat oil
pKa (Säurekonstante)	7.34±0.10(Predicted)
Merck	13,4021
Henry-Konstante	6.2×100 mol/(m3Pa) at 25℃, Mackay et al. (2006)
Hauptanwendungen	agriculturecleaning productscosmeticsenvironmentalfood and beveragespersonal care
InChI	1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3
InChIKey	RYAUSSKQMZRMAI-UHFFFAOYSA-N
SMILES	CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C
LogP (Verteilungskoeffizient)	4.930
EPA chemische Informationen	Fenpropimorph (67564-91-4)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Regulatorische Informationen	Commission Regulation (EC) No 1490/2002Fenpropimorph is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2008/107, Reg. (EU) 2022/801, Reg. (EU) No 540/2011REACH registered substance: cis-4-[3-(p-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine (EC: 266-719-9)Fenpropimorph: HSNO Approval: HSR003169 Approved with controls
Hazard Classes and Categories	Acute Tox. 4 (100%)Reproductive toxicity - category 2Repr. 2
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values	0.15OPP0.032
EPA Human Health Benchmarks for Pesticides	Fenpropimorph0.154200Females 13-49 yrs0.032190
Wassergefährdungsklasse (WGK)	WGK 3
UN-Transportnummer	UN 3082
Zollcode	29349990
RTECS-Nr.	QE1940000
R-Sätze (R)	22-38-51/53-63
Gefahrensymbole	XnN,N,Xn
Sicherheitshinweise (S)	36/37-46-61

Anwendungen & Verwendung

Verwenden

Systemic fungicide for control of powdery mildew, rust in cereal crops.