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Ethoxysulfuron Structure

Ethoxysulfuron

Chemical Properties

Melting point 145-147°
Density  1.426±0.06 g/cm3(Predicted)
storage temp.  0-6°C
solubility  Solubility in organic solvents (g/l at 20 °C)
Acetone 36.0
Ethyl acetate 14.1
Dichloromethane 107.0
n‐Hexane 0.006
Methanol 7.7
Polyethylene glycol 22.5
Toluene 2.5
pka Dissociation constant (pKa at 20 °C) 5.28
form  Solid
color  White to Off-White
Water Solubility  Solubility in water (g/l at 20 °C): 0.026 (pH 5) 1.353 (pH 7) 9.628 (pH 9)
InChI InChI=1S/C15H18N4O7S/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKey UWVKRNOCDUPIDM-UHFFFAOYSA-N
SMILES S(NC(NC1=NC(OC)=CC(OC)=N1)=O)(OC1=CC=CC=C1OCC)(=O)=O
CAS DataBase Reference 126801-58-9(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 2A9C8090ZD

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H410
Precautionary statements P273-P501
Hazard Codes  N
Risk Statements  50/53
Safety Statements  60-61
RIDADR  UN 3077
Toxicity LD50 in rats (mg/kg): >3270 orally; >4000 dermally (Hacker)

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