97886-45-8

Name DITHIOPYR
CAS 97886-45-8
Molecular Formula C15H16F5NO2S2
MDL Number MFCD00274588
Molecular Weight 401.42
MOL File 97886-45-8.mol

Chemical Properties

Melting point  65°
Boiling point  460.3±45.0 °C(Predicted)
density  1.3583 (estimate)
storage temp.  0-6°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka -7.10±0.50(Predicted)
color  White to Off-White
Henry's Law Constant 6.5×100 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3
InChIKey YUBJPYNSGLJZPQ-UHFFFAOYSA-N
SMILES C1(CC(C)C)=C(C(=O)SC)C(=NC(C(F)(F)F)=C1C(=O)SC)C(F)F
EPA Substance Registry System Dithiopyr (97886-45-8)

Safety Data

Hazardous Substances Data 97886-45-8(Hazardous Substances Data)
Toxicity
LD50 orally in rats: >5000 mg/kg (Fujiyama, Yamane)

Hazard Information

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