Identification Chemical Properties Safety Data Hazard Information Supplier

1005549-94-9

Name PF-4217329
CAS 1005549-94-9
Molecular Formula C27H28N4O5S
MDL Number MFCD30532772
Molecular Weight 520.6
MOL File 1005549-94-9.mol

Chemical Properties

Boiling point  690.0±65.0 °C(Predicted)
density  1.26±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  Soluble in DMSO
form  Solid
pka 2.30±0.11(Predicted)
color  White to off-white
InChI 1S/C27H28N4O5S/c1-21(2)36-27(32)20-35-25-7-3-6-23(16-25)19-30(37(33,34)26-8-4-13-28-17-26)18-22-9-11-24(12-10-22)31-15-5-14-29-31/h3-17,21H,18-20H2,1-2H3
InChIKey NVPXUFQLKWKBHK-UHFFFAOYSA-N
SMILES O=S(N(CC1=CC=C(N2N=CC=C2)C=C1)CC3=CC=CC(OCC(OC(C)C)=O)=C3)(C4=CC=CN=C4)=O

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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