４－クロロベンジルＮ－２，４－ジクロロフェニル－２－（１Ｈ－１，２，４－トリアゾール－１－イル）チオアセトイミダート
Imibenconazole
基本情報
- CAS
86598-92-7- 標準SMILES
Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1- InChIKey
AGKSTYPVMZODRV-UHFFFAOYSA-N- 分子式
- C17H13Cl3N4S
- 平均分子量
- 411.7 g/mol
- 単同位体質量
- 409.992651
概要
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.
名称と識別子
- 優先名称
- Imibenconazole
- IUPAC
- (4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimidothioate
- 現地名
- ４－クロロベンジルＮ－２，４－ジクロロフェニル－２－（１Ｈ－１，２，４－トリアゾール－１－イル）チオアセトイミダート
- 英語名
- IMIBENCONAZOLE
- 分子式
- C17H13Cl3N4S
- 分子量
- 411.74
名称と別名
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
名称をさらに表示
４－クロロベンジルＮ－２，４－ジクロロフェニル－２－（１Ｈ－１，２，４－トリアゾール－１－イル）チオアセトイミダートイミベンコナゾール標準品イミベンコナゾール４クロロベンジル＝Ｎ（２，４ジクロロフェニル）２（１Ｈ１，２，４トリアゾル１イル）チオアセトイミダトイミベンコナゾール 溶液マネージ1-{[(4-クロロフェニル)メチル]スルファニル}-N-(2,4-ジクロロフェニル)-2-(1H-1,2,4-トリアゾール-1-イル)エタン-1-イミン1-[2-(2,4-ジクロロフェニルイミノ)-2-(4-クロロベンジルチオ)エチル]-1H-1,2,4-トリアゾールN-(2,4-ジクロロフェニル)-2-(1H-1,2,4-トリアゾール-1-イル)アセトイミドチオ酸S-(4-クロロベンジル)4-ｸﾛﾛﾍﾞﾝｼﾞﾙ=N-(2,4-ｼﾞｸﾛﾛﾌｪﾆﾙ)-2-(1H-1 ,2,4-ﾄﾘｱｿﾞｰﾙ-1-ｲﾙ)ﾁｵｱｾﾄｲﾐﾀﾞｰﾄｲﾐﾍﾞﾝ ｺﾅｿﾞｰﾙhf8505hf6305imibenconazolIMIBENZONAZOLEenyl)methylesterIMIBENCONAZOLE STANDARD
物性
構造計算による物性
- XLogP
- 5.8
- 極性表面積
- 68.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 6
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 446
実験および物理化学的性質
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
LogP4.94
物理化学的性質
- 融点
- 89.5 · 89.5-90°
- 沸点
- 567.4 · 567.4±60.0 °C(Predicted)
- 比重(密度)
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 蒸気圧
- 8.5 x · 8.5 x l0-8 Pa (25 °C)
- 闪点
- 4 ℃ · 4℃
- 貯蔵温度
- 0 · 0-6°C
- 水溶解度
- 1.7 mg · 1.7 mg l-1 (20 °C)
- 酸解離定数(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)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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]
危険有害性情報
Hazard Classes and Categories
Skin Sens. 1 (100%)
Acute toxicity (Oral) - Category 5
安全データ
- wgk
- 2
- rtecs
- XZ4803030
- ridadr
- UN 1648 3 / PGII
- 毒性
- 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)
- risk_code
- 11-20/21/22-36
- hazard_code
- F,Xn
- safety_code
- 16-36/37
化学と産業
応用分野
用途イミベンコナゾール試験用標準品。
使用Imibenconazole 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.
上流・下流製品情報
上流原料
補足説明
定義ChEBI: 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.
関連反応
2 件
化合物ノート
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