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ML402 Structure

ML402

Chemical Properties

Boiling point 508.4±45.0 °C(Predicted)
Density  1.272±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO : 150 mg/mL (507.13 mM)
pka 13.84±0.46(Predicted)
form  Solid
color  White to off-white
InChI 1S/C14H14ClNO2S/c1-10-9-11(15)4-5-12(10)18-7-6-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKey RULQUKFOBAPKKR-UHFFFAOYSA-N
SMILES ClC1=CC=C(OCCNC(C2=CC=CS2)=O)C(C)=C1

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Usage And Synthesis

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