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338-95-4

Name Isoflupredone
CAS 338-95-4
EINECS(EC#) 206-422-3
Molecular Formula C21H27FO5
MDL Number MFCD00076089
Molecular Weight 378.43
MOL File 338-95-4.mol

Chemical Properties

Melting point  260-262°C (dec.)
alpha  D23 +108° (c = 0.611 in ethanol); D23 +94° (alcohol)(Fried)
Boiling point  566.7±50.0 °C(Predicted)
density  1.35±0.1 g/cm3(Predicted)
storage temp.  -20?C Freezer
solubility  DMSO (Slightly), Ethanol (Slightly, Heated, Sonicated), Ethyl Acetate (Slightly)
form  Solid
pka 12.10±0.70(Predicted)
color  White to Pale Brown
InChIKey WAIJIHDWAKJCBX-MPVZUUJONA-N
SMILES [C@@]12([H])CCC3=CC(=O)C=C[C@]3(C)[C@@]1(F)[C@@H](O)C[C@]1(C)[C@@](CC[C@@]21[H])(O)C(=O)CO |&1:0,10,12,14,17,19,22,r|

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Material Safety Data Sheet(MSDS)

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