Basic information Safety Related Supplier
(αS,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanenitrile Structure

(αS,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanenitrile

Chemical Properties

Melting point 112-115oC
Boiling point 522.5±60.0 °C(Predicted)
Density  1.32±0.1 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
pka 10.95±0.29(Predicted)
form  Solid
color  Pale Yellow
InChI InChI=1/C13H12F2N4O/c1-9(5-16)13(20,6-19-8-17-7-18-19)11-4-10(14)2-3-12(11)15/h2-4,7-9,20H,6H2,1H3/t9-,13+/s3
InChIKey SYSUFNUKZJVPBI-OWKUYNCVNA-N
SMILES N1(C[C@@](C2=CC(F)=CC=C2F)(O)[C@@H](C)C#N)C=NC=N1 |&1:2,12,r|

Usage And Synthesis

(αS,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanenitrile Supplier