181274-17-9

Name Flucarbazone sodium
CAS 181274-17-9
Molecular Formula C12H10F3N4NaO6S
MDL Number MFCD03792909
Molecular Weight 418.28
MOL File 181274-17-9.mol

Chemical Properties

Melting point  200°C (with decomposition)
density  1.59
storage temp.  0-6°C
solubility  Solubilities in organic solvents (g/l at 20 °C) Dimethylsulfoxide: 250 Poly(ethylene glycol): 48 Acetonitrile: 6.4 2‐Propanol: 0.27 Xylene: <0.1
form  Solid
pka The free acid produced by protonation under acidic conditions has a pKa of 1.9 (at 20 °C)
color  White to Off-White
Water Solubility  Solubility in water (at 20 °C) : Water solubility is 44 g/l in unbuffered aqueous solutions in the range pH 4-9. Solubility is not influenced by pH in the range pH 4-9
Stability: Hygroscopic
InChI InChI=1S/C12H11F3N4O6S.Na.H/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15;;/h3-6H,1-2H3,(H,17,20);;
InChIKey DXDQTPCXMOXUBS-UHFFFAOYSA-N
SMILES S(C1C=CC=CC=1OC(F)(F)F)(=O)(=O)NC(N1C(N(C)C(OC)=N1)=O)=O.[NaH]
EPA Substance Registry System 1H-1,2,4-Triazole- 1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl- 5-oxo-N-[[2-(trifluoromethoxy) phenyl]sulfonyl]-, sodium salt(181274-17-9)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H412
Precautionary statements  P273
Risk Statements 
Safety Statements 
RTECS  XZ4205000
Hazardous Substances Data 181274-17-9(Hazardous Substances Data)
Toxicity
LD50 in rats (mg/kg): >5000 orally; >5000 dermally; LD50 by inhalation in rats: >5.13 mg/l; LC50 in bluegill sunfish, rainbow trout: >99.3, >96.7 mg/l

Hazard Information

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