3,5-dichloro-4-((6-chloro-5-isopropylpyridazin-3-yl)oxy)aniline(WXG00196) Chemical Properties

Boiling point:

459.9±45.0 °C(Predicted)

Density 

1.417±0.06 g/cm3(Predicted)

pka

1?+-.0.10(Predicted)

InChI

InChI=1S/C13H12Cl3N3O/c1-6(2)8-5-11(18-19-13(8)16)20-12-9(14)3-7(17)4-10(12)15/h3-6H,17H2,1-2H3

InChIKey

IJIULYGLIRUFPE-UHFFFAOYSA-N

SMILES

C1(N)=CC(Cl)=C(OC2=NN=C(Cl)C(C(C)C)=C2)C(Cl)=C1

3,5-dichloro-4-((6-chloro-5-isopropylpyridazin-3-yl)oxy)aniline(WXG00196) Usage And Synthesis

Uses

3,5-dichloro-4-((6-chloro-5-isopropylpyridazin-3-yl)oxy)aniline(WXG00196) can be used as a pharmaceutical intermediate in the synthesis of resmetiro. In agriculture, it can be used as a herbicide. 

Structure and conformation

The structural features of 3,5-dichloro-4-((6-chloro-5-isopropylpyridazin-3-yl)oxy)aniline, including the aniline ring, chlorophenoxy and pyridazinone moieties, make it stable and reactive. Its solubility and interaction with biological targets are crucial to its efficacy in different uses.