360791-49-7

Name 4BP-TQS
CAS 360791-49-7
Molecular Formula C18H17BrN2O2S
Molecular Weight 405.31
MOL File 360791-49-7.mol

Chemical Properties

Melting point  >202°C (dec.)
Boiling point  566.2±60.0 °C(Predicted)
density  1.505±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO (Slightly), Methanol (Slightly, Sonicated)
form  powder
pka 10.21±0.40(Predicted)
color  white to beige
InChI 1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)
InChIKey YNCXHXYZTLIZTO-UHFFFAOYSA-N
SMILES BrC1=CC=C(C2C(CC=C3)C3C(C=C(S(N)(=O)=O)C=C4)=C4N2)C=C1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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