1019331-10-2

Name S0859
CAS 1019331-10-2
Molecular Formula C29H24ClN3O3S
MDL Number MFCD23136018
Molecular Weight 530.04
MOL File 1019331-10-2.mol

Chemical Properties

Boiling point  748.5±70.0 °C(Predicted)
density  1.313±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: soluble10mg/mL, clear
form  powder
pka -1.34±0.40(Predicted)
color  white to light brown
InChI 1S/C29H24ClN3O3S/c1-21-10-12-22(13-11-21)18-33(29(34)26-7-2-4-8-27(26)30)19-23-14-16-24(17-15-23)25-6-3-5-9-28(25)37(35,36)32-20-31/h2-17,32H,18-19H2,1H3
InChIKey ITDBPOSLOROLMT-UHFFFAOYSA-N
SMILES [S](=O)(=O)(NC#N)c1c(cccc1)c2ccc(cc2)CN(Cc4ccc(cc4)C)C(=O)c3c(cccc3)Cl

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 4

Hazard Information

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