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SPIROBIINDANE Structure

SPIROBIINDANE

Chemical Properties

Melting point 213-214 °C
Boiling point 478.5±45.0 °C(Predicted)
Density  1.21±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO : 125 mg/mL (405.30 mM; Need ultrasonic)
pka 9.98±0.60(Predicted)
form  Solid
color  White to off-white
Henry's Law Constant 1.5×106 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI InChI=1S/C21H24O2/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,22-23H,11-12H2,1-4H3
InChIKey SICLLPHPVFCNTJ-UHFFFAOYSA-N
SMILES C12(C3=C(C=CC(O)=C3)C(C)(C)C1)C1=C(C=CC(O)=C1)C(C)(C)C2
CAS DataBase Reference 1568-80-5
EPA Substance Registry System 1,1'-Spirobi[1H-indene]-6,6'-diol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl- (1568-80-5)

Safety Information

TSCA  TSCA listed
Toxicity rat,LD50,oral,> 5gm/kg (5000mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),International Journal of Toxicology. Vol. 19, Pg. 366, 2000.

Usage And Synthesis

Preparation Products And Raw materials

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