182230-43-9

Name (2R,3S/2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
CAS 182230-43-9
EINECS(EC#) 605-961-5
Molecular Formula C16H14F3N5O
MDL Number MFCD20488064
Molecular Weight 349.31
MOL File 182230-43-9.mol
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Chemical Properties

Melting point  123-128°C (dec.)
Boiling point  508.6±60.0 °C(Predicted)
density  1.42±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 11.54±0.29(Predicted)
color  White to Off-White
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3
InChIKey BCEHBSKCWLPMDN-UHFFFAOYSA-N
SMILES C(O)(CN1N=CN=C1)(C(C)C1=NC=NC=C1F)C1C=CC(F)=CC=1F

Safety Data

WGK Germany  WGK 3
HS Code  2933997500
Storage Class 11 - Combustible Solids

Hazard Information

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