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6-IAF Structure

6-IAF

Chemical Properties

Boiling point: 798.5±60.0 °C(Predicted)
Density  1.95±0.1 g/cm3(Predicted)
storage temp.  2-8°C
pka 9.32±0.20(Predicted)
λmax ~489 nm in DMSO
BRN  13738833
InChI 1S/C22H14INO6/c23-10-20(27)24-11-1-4-14-17(7-11)22(30-21(14)28)15-5-2-12(25)8-18(15)29-19-9-13(26)3-6-16(19)22/h1-9,25-26H,10H2,(H,24,27)
InChIKey YRDPEKZBFANDFE-UHFFFAOYSA-N
SMILES Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccc(NC(=O)CI)cc45)c1

Safety

WGK Germany  3
Storage Class 11 - Combustible Solids

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