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Thifensulfuron methyl Structure

Thifensulfuron methyl

Chemical Properties

Melting point 176°C
Density  1.560±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
Water Solubility  Practically insoluble in water
solubility  DMSO (Slightly, Heated), Methanol (Slightly, Heated)
pka pKa at 25°: 4.0
form  Solid
color  White to Almost white
λmax 280nm(Acidic aq.)(lit.)
Merck  14,9316
BRN  7448062
Henry's Law Constant 3.4×108 mol/(m3Pa) at 25℃, HSDB (2015)
Major Application agriculture
environmental
InChI 1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)
InChIKey AHTPATJNIAFOLR-UHFFFAOYSA-N
SMILES COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2
LogP 1.560
CAS DataBase Reference 79277-27-3(CAS DataBase Reference)
EPA Substance Registry System Thifensulfuron-methyl (79277-27-3)

Safety Information

Hazard Codes  N
Risk Statements  50/53
Safety Statements  60-61
RIDADR  UN3077 9/PG 3
WGK Germany  2
RTECS  XM8463000
HazardClass  9
PackingGroup  III
HS Code  29350090
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Hazardous Substances Data 79277-27-3(Hazardous Substances Data)
Toxicity LC50 (96-hour) for both bluegill sunsh and rainbow trout >100 mg/L; LC50 (48-hour) for Daphnia magna >1,000 mg/L (Humburg et al., 1989); acute oral LD50 for rats >5,000 mg/kg (Hartley and Kidd, 1987).

Usage And Synthesis

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