1166228-30-3

Name 3-Fluoro-4-desfluoro BicalutaMide
CAS 1166228-30-3
Molecular Formula C18H14F4N2O4S
MDL Number MFCD28977563
Molecular Weight 430.37
MOL File 1166228-30-3.mol
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Chemical Properties

Melting point  154-157℃ (ethyl acetate hexane )
Boiling point  658.6±55.0 °C(Predicted)
density  1.52±0.1 g/cm3(Predicted)
storage temp.  2-8°C
pka 11.45±0.29(Predicted)
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-4-2-3-12(19)7-14)16(25)24-13-6-5-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
InChIKey JNUHKUUHIXCACT-UHFFFAOYSA-N
SMILES C(NC1=CC=C(C#N)C(C(F)(F)F)=C1)(=O)C(O)(C)CS(C1=CC=CC(F)=C1)(=O)=O

Safety Data

Symbol(GHS)  Health Hazard (GHS08)Environment (GHS09)
GHS08,GHS09
Signal word  Danger
Hazard statements  H351-H410-H360
Precautionary statements  P201-P202-P281-P308+P313-P405-P501-P273-P391-P501
Storage Class 13 - Non Combustible Solids

Hazard Information

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