1714146-59-4

Name I-BRD9
CAS 1714146-59-4
Molecular Formula C22H22F3N3O3S2
MDL Number MFCD28952791
Molecular Weight 497.55
MOL File 1714146-59-4.mol

Chemical Properties

Boiling point  683.9±65.0 °C(Predicted)
density  1.50±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  Soluble in DMSO
form  crystalline solid
pka 9.35±0.40(Predicted)
color  White to off-white
InChI 1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)
InChIKey WRUWGLUCNBMGPS-UHFFFAOYSA-N
SMILES C1(=O)N(CC)C=C(C2=CC=CC(C(F)(F)F)=C2)C2SC(C(NC3CCS(=O)(=O)CC3)=N)=CC1=2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral

Hazard Information

Spectrum Detail

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