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S-23 Structure

S-23

Chemical Properties

Melting point 119-121 °C
Boiling point 577.1±50.0 °C(Predicted)
Density  1.48±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), Methanol (Slightly)
pka 12.04±0.29(Predicted)
form  Solid
color  White to Off-White
optical activity [α]/D 20±3°, c = 0.1 in chloroform
BRN  19161994
InChI InChI=1S/C18H13ClF4N2O3/c1-17(27,9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21,22)23/h2-7,27H,9H2,1H3,(H,25,26)/t17-/m0/s1
InChIKey SSFVOEAXHZGTRJ-KRWDZBQOSA-N
SMILES C(NC1=CC=C(C#N)C(C(F)(F)F)=C1)(=O)[C@](O)(C)COC1=CC=C(Cl)C(F)=C1
FDA UNII XDK89456WM

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H302-H413
Hazard Codes  Xn
Risk Statements  22-53
WGK Germany  3
NFPA 704:
0
2 0

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S-23 Spectrum