Imibenconazole
Grundinformationen
- CAS
86598-92-7- Standard-SMILES
Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1- InChIKey
AGKSTYPVMZODRV-UHFFFAOYSA-N- Summenformel
- C17H13Cl3N4S
- Durchschnittliche Molmasse
- 411,7 g/mol
- Monoisotopische Masse
- 409,992651
Überblick
Imibenconazole is a member of the class of imidothioates that is the S-4-chlorobenzyl thioester of N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioic acid. Used to control a range of fungal diseases affecting fruit, vegetables, turf and ornamentals. It has a low mammalian toxicity and shows a moderate level of toxicity to fish, daphnia and earthworms but is relatively non-toxic to honey bees, birds and algae. 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 member of monochlorobenzenes, an imidothioate, a conazole fungicide and a triazole fungicide.
Namen und Bezeichner
- Bevorzugter Name
- Imibenconazole
- IUPAC
- (4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimidothioate
- Englischer Name
- IMIBENCONAZOLE
- Summenformel
- C17H13Cl3N4S
- Molmasse
- 411.74
Namen und Synonyme
Imibenconazole86598-92-7ManageImibenconazole [ISO]HF 6305HF 8505UNII-KQY333M0BEKQY333M0BE4-Chlorobenzyl N-2,4-dichlorophenyl-2-(1H-1,2,4-triazol-1-yl)thioacetamidateIMIBENCONAZOLE [MI]HF-6305HF-8505
Weitere Namen anzeigen
hf8505hf6305imibenconazolIMIBENZONAZOLEenyl)methylesterIMIBENCONAZOLE STANDARDC14283600 Imibenconazole
1H-1,2,4-Triazole-1-ethanamidothioic acid, N-(2,4-dichlorophenyl)-, (4-chlorophenyl)methyl esterDTXSID7058204CHEBI:81767(4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanimidothioateN-(2,4-Dichlorophenyl)-1H-1,2,4-triazole-1-ethanimidothioic acid (4-chlorophenyl)methyl ester1,2,4-TRIAZOL-1-YL-ISOTHIOACETIC ACID 2',4'-DICHLOROANILIDE S-P-CHLOROBENZYL ETHER4-CHLOROBENZYL (EZ)-N-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)THIOACETAMIDATE4-chlorobenzyl N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioate
Datenbank-Bezeichner
- CAS
86598-92-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,8
- Polarare Oberfläche (TPSA)
- 68,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 446
Experimentelle und physikochemische Eigenschaften
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
LogP4.94
Physikochemische Eigenschaften
- Schmelzpunkt
- 89.5 · 89.5-90°
- Siedepunkt
- 567.4 · 567.4±60.0 °C(Predicted)
- Dichte
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- Dampfdruck
- 8.5 x · 8.5 x l0-8 Pa (25 °C)
- Flammpunkt
- 4 ℃ · 4℃
- storage temp.
- 0 · 0-6°C
- Wasserlöslichkeit
- 1.7 mg · 1.7 mg l-1 (20 °C)
- pka
- 1.81 · 1.81±0.10(Predicted)
- Henry's Law Constant
- 4.9 · 4.9×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
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
H261 (100%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]
P203, P231+P232, P260, P261, P264, P270, P272, P273, P280, P302+P352, P308+P316, P318, P319, P321, P333+P317, P362+P364, P370+P378, P391, P402+P404, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Warning
H303: May be harmful if swallowed [Warning Acute toxicity, oral]
Gefahrenhinweise
Hazard Classes and Categories
Skin Sens. 1 (100%)
Acute toxicity (Oral) - Category 5
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN 1648 3 / PGII
- RTECS-Nr.
- XZ4803030
- risk_code
- 11-20/21/22-36
- Toxizität
- LD50 in male, female rats, male, female mice (mg/kg): 2800, 3000, >5000, >5000 orally; in male, female rats (mg/kg): >2000, >2000 dermally; in honey bees (mg/bee): >125 orally; LC50 (48 hr) in carp: 1.02 ppm; LC50 (6 hr) in water fleas: >102 ppm (Ogawa)
- hazard_code
- F,Xn
- safety_code
- 16-36/37
Chemie und Industrie
Anwendungen
VerwendenImibenconazole is used to control scab, powdery mildew, Alternaria leaf spot, sooty blotch, fly speck and rust on apples, scab and rust on pears, scab and powdery mildew on fruits, and anthracnose and other diseases on roses and chrysanthemums.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Ergänzende Hinweise
DefinitionChEBI: A member of the class of imidothioates that is the S-4-chlorobenzyl thioester of N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioic acid. Used to control a range of fungal diseases affect ng fruit, vegetables, turf and ornamentals. It has a low mammalian toxicity and shows a moderate level of toxicity to fish, daphnia and earthworms but is relatively non-toxic to honey bees, birds and algae.
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