Epyrifenacil
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基本情報
- CAS
353292-31-6- 標準SMILES
CCOC(=O)COc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl- InChIKey
XPEVJXBWHXAUDR-UHFFFAOYSA-N- 分子式
- C21H16ClF4N3O6
- 平均分子量
- 517.8 g/mol
- 単同位体質量
- 517.06637579
概要
Epyrifenacil is an ethyl ester resulting from the formal condensation of the carboxy group of S-3100-CA with ethanol. It is a proherbicide for S-3100-CA and exhibits high efficacy against a wide range of broad-leaved weeds and grass weeds. It has a role as a proherbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an ethyl ester, a member of pyridines, an aromatic ether, an organofluorine compound, a pyrimidone, a diether, a member of monochlorobenzenes and a member of monofluorobenzenes. It is functionally related to a S-3100-CA.
名称と識別子
- 優先名称
- Epyrifenacil
- IUPAC
- ethyl 2-[[3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]-2-pyridinyl]oxy]acetate
- 英語名
- Trisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one,3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-,(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-
- 分子式
- C21H16ClF4N3O6
- 分子量
- 517.81
名称と別名
Epyrifenacil353292-31-6syn-523RAE3HFQ5BKS-3100CHEBI:191218DTXSID5010205473-(2-Chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl)phenoxy)-2-((ethoxycarbonyl)methoxy)pyridine3-[2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy]-2-((ethoxycarbonyl)methoxy)pyridineRefChem:137433DTXCID601478290Epyrifenacil [ISO]
名称をさらに表示
Trisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-oneEthyl 2-((3-(2-chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-2,3-dihydropyrimidin-1(6H)-yl)phenoxy)pyridin-2-yl)oxy)acetateAcetic acid, 2-[[3-[2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenoxy]-2-pyridinyl]oxy]-, ethyl esterTrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one,3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-,(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-
物性
構造計算による物性補完中
- XLogP
- 3.6
- 極性表面積
- 98.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 11
- 回転可能結合数
- 8
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 844
物理化学的性質
- 沸点
- 515.5 · 515.5±60.0 °C(Predicted)
- 比重(密度)
- 1.491 · 1.491±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 2.3 · 2.30±0.10(Predicted)
- EPAの化学物質情報
- 6 · Trisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)- (353292-31-6)
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAquatic Acute 1 (100%)
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H400
関連反応
16 件
化合物ノート
読み込み中…