diphyllin Structure

diphyllin

Chemical Properties

Melting point 290℃ (methanol )
Boiling point 638.8±55.0 °C(Predicted)
Density  1.445±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.  2-8°C
solubility  Soluble in DMSO
pka 7.82±0.20(Predicted)
form  powder
color  white to light brown
InChI InChI=1S/C21H16O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,22H,8-9H2,1-2H3
InChIKey VMEJANRODATDOF-UHFFFAOYSA-N
SMILES O1CC2=C(O)C3C(C(C4=CC=C5OCOC5=C4)=C2C1=O)=CC(OC)=C(OC)C=3
FDA UNII W4PN5LDP26
UNSPSC Code 12352200
NACRES NA.77

Safety

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

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