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199119-58-9

Name Trifloxysulfuron-sodium
CAS 199119-58-9
EINECS(EC#) 200-528-9
Molecular Formula C14H13F3N5NaO6S
MDL Number MFCD05664708
Molecular Weight 459.33
MOL File 199119-58-9.mol

Chemical Properties

Melting point  175-177°C
density  0.002g/cm3 at 21℃
vapor pressure  <1.3 × 10-6(Pa at 20 °C)
storage temp.  0-6°C
solubility  Solubility in organic solvents (g/l at 25 °C)
Acetone 17.0
Ethyl acetate 3.8
n-Hexane <0.001
Methanol 50.0
Octanol 4.4
Toluene <0.001
Acetone 17.0
form  neat
pka Dissociation constant (pKa at 20 °C) 4.76
color  White
Water Solubility  Solubility in water (g/l at 25 °C) 0.063 (pH 5) 5.016 (pH 7) 25.7 (pH 7.4)
InChI InChI=1S/C14H14F3N5O6S.Na/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17;/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23);/q;+1/p-1
InChIKey UFEIWEXHHOXPGP-UHFFFAOYSA-M
SMILES S(=O)(=O)(C1=C(C=CC=N1)OCC(F)(F)F)N([Na])C(=O)NC1=NC(OC)=CC(OC)=N1
LogP -1.6-1.4 at 25℃ and pH5-9.1
Surface tension 65.8mN/m at 1g/L and 20℃
Dissociation constant 4.76 at 20℃
CAS DataBase Reference 199119-58-9(CAS DataBase Reference)

Safety Data

WGK Germany  3

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