4-Chloro-2-(1,1-dimethylethyl)-5-mercapto-3(2H)-pyridazinone

HCID 13469242

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基本情報

CAS: 96490-18-5
標準SMILES: CC(C)(C)n1ncc(S)c(Cl)c1=O
InChIKey: GLGQMFICPMIOHO-UHFFFAOYSA-N
分子式: C8H11ClN2OS
平均分子量: 218.7 g/mol
単同位体質量: 218.02806165

名称と識別子

優先名称: 4-Chloro-2-(1,1-dimethylethyl)-5-mercapto-3(2H)-pyridazinone
IUPAC: 2-tert-butyl-4-chloro-5-sulfanylpyridazin-3-one
英語名: 4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE
分子式: C8H11ClN2OS
分子量: 218.7

名称と別名

96490-18-54-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE2-(tert-Butyl)-4-chloro-5-mercaptopyridazin-3(2H)-one2-tert-butyl-4-chloro-5-sulfanylpyridazin-3-oneSCHEMBL3847199DTXSID10541631GLGQMFICPMIOHO-UHFFFAOYSA-N2-tert-butyl-4-chloro-5-sulfanyl-2,3-dihydropyridazin-3-one2-t-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone2-tert-Butyl-4-chloro-5-sulfanylpyridazin-3(2H)-one2-tert.butyl-4-chloro-5-mercapto-3(2H)-pyridazinone2-tert.-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone

名称をさらに表示

Chlorotoluron Impurity 12-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-mercapto-

データベース識別子

CAS: 96490-18-5
PubChem CID: 13469242
DTXSID: DTXSID10541631
Nikkaji: J1.470.696H

物性

構造計算による物性

XLogP: 1.7
極性表面積: 33.7 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 304

化学と産業

応用分野 · 1 件

使用4-Chloro-2-(1,1-dimethylethyl)-5-mercapto-3(2H)-pyridazinone is an intermediate used in the synthesis of Pyridaben is a pyridazinone derivative used as an insecticide and acaricide. In the European Union, Pyridaben has been authorized for use as an insecticide and acaricide from 1 May 2011. In Germany, Austria and Switzerland, no plant protection products containing this active substance are authorized. Pyridaben is a colorless solid that is practically insoluble in water. Cannabis testing.