88678-67-5

Name Pyributicarb
CAS 88678-67-5
Molecular Formula C18H22N2O2S
MDL Number MFCD00468117
Molecular Weight 330.44
MOL File 88678-67-5.mol

Chemical Properties

Melting point  85~88℃
Boiling point  427.8±55.0 °C(Predicted)
density  1.1453 (rough estimate)
refractive index  1.6000 (estimate)
storage temp.  0-6°C
solubility  DMSO : 100 mg/mL (302.63 mM);Water : < 0.1 mg/mL (insoluble)
form  neat
pka 1.22±0.10(Predicted)
color  White to off-white
Henry's Law Constant 4.3×101 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3
InChIKey VTRWMTJQBQJKQH-UHFFFAOYSA-N
SMILES C(=S)(OC1=CC=CC(C(C)(C)C)=C1)N(C1=NC(OC)=CC=C1)C

Safety Data

Hazard Codes  N
Risk Statements 
Safety Statements 
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
RTECS  XK4962000
HS Code  29333990

Hazard Information

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