IT603) Structure

IT603)

Chemical Properties

Density  1.827±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.  Store at -20°C
solubility  DMSO: 125 mg/mL (379.74 mM)
pka 7.686±0.20(predicted)
form  Solid
color  Light yellow to orange
InChI 1S/C11H9BrN2O3S/c1-17-8-4-6(12)2-5(9(8)15)3-7-10(16)14-11(18)13-7/h2-4,15H,1H3,(H2,13,14,16,18)
InChIKey PYLYAEDUIKQBOT-UHFFFAOYSA-N
SMILES COC1=CC(=CC(=C1O)C=C2C(=O)NC(=S)N2)Br
UNSPSC Code 51111800
NACRES NA.77

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

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IT603) Spectrum