948841-07-4

Name TB5
CAS 948841-07-4
Molecular Formula C15H14BrNOS
MDL Number MFCD30718167
Molecular Weight 336.25
MOL File 948841-07-4.mol

Chemical Properties

Melting point  132-134 °C
Boiling point  468.5±45.0 °C(Predicted)
density  1.440±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 33 mg/ml; DMSO: 33 mg/ml; Ethanol: 1 mg/ml
form  A crystalline solid
pka 4.30±0.24(Predicted)
color  White to yellow
InChI 1S/C15H14BrNOS/c1-17(2)12-6-3-11(4-7-12)5-8-13(18)14-9-10-15(16)19-14/h3-10H,1-2H3/b8-5+
InChIKey PTLDLBSWTKNYCY-VMPITWQZSA-N
SMILES CN(C)C(C=C1)=CC=C1/C=C/C(C2=CC=C(Br)S2)=O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

Supplier