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Afloqualone Structure

Afloqualone

Chemical Properties

Melting point 195-196°C
Boiling point 492.5±55.0 °C(Predicted)
Density  1.2529 (estimate)
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 2.73±0.70(Predicted)
color  White to Off-White
InChI InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3
InChIKey VDOSWXIDETXFET-UHFFFAOYSA-N
SMILES N1C2=C(C=C(N)C=C2)C(=O)N(C2=CC=CC=C2C)C=1CF
CAS DataBase Reference 56287-74-2(CAS DataBase Reference)
FDA UNII CO4U2C8ORZ

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Toxicity LD50 in mice (mg/kg): 315.1 i.p. (Tani)
NFPA 704:
0
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Afloqualone Chemical Properties,Usage,Production

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