1025821-33-3

Name GSK-626616
CAS 1025821-33-3
Molecular Formula C18H10Cl2N4OS
MDL Number MFCD31689261
Molecular Weight 401.27
MOL File 1025821-33-3.mol
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Chemical Properties

Melting point  281 - 282oC
Boiling point  574.8±60.0 °C(Predicted)
density  1.55±0.1 g/cm3(Predicted)
storage temp.  Refrigerator, under inert atmosphere
solubility  Chloroform (Slightly, Heated), Methanol (Slightly)
form  Solid
pka -0.94±0.20(Predicted)
color  Pale Yellow to Light Yellow
InChI 1S/C18H10Cl2N4OS/c19-11-2-1-3-12(20)16(11)23-18-24-17(25)15(26-18)9-10-4-5-13-14(8-10)22-7-6-21-13/h1-9H,(H,23,24,25)/b15-9-
InChIKey RJPNRXFBYZVRIB-DHDCSXOGSA-N
SMILES ClC(C=CC=C1Cl)=C1NC2=NC(/C(S2)=C/C3=CC4=C(N=CC=N4)C=C3)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319-H335-H302-H315
Precautionary statements  P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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