117337-19-6
Product Name:
Methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate
Formula:
C15H15ClFN3O3S2
Synonyms:
Methyl {2-chloro-4-fluoro-5-[(EZ)-5,6,7,8-tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylideneamino]phenylthio}acetate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [Merck Index] |
|---|---|
| Color/Form | White powder |
| Odor | Odorless |
| Melting Point | 104.6 °C |
| Solubility | In methanol 4.41, acetone 101, toluene 84, n-octanol 1.86, acetonitrile 68.7, ethyl acetate 73.5, dichloromethane 9 (all in g/L at 25 °C); in n-hexane 0.232 g/L at 20 °C. |
| Density | 0.43 (bulk at 20 °C) |
| Vapor Pressure | 4.41X10-4 mPa at 25 °C /3.31X10-9 mm Hg/ |
| LogP | log Kow = 3.77 |
| Henry's Law Constant | Henry's Law constant= 2.1X10-9 atm-cu m/mole at 25 °C /Estimated/ |
| Stability/Shelf Life | In water, DT50 484.8 days (pH 5), 17.7 days (pH 7), 0.2 days (pH 9). In light, DT50 4.92 days. |
| Kovats Retention Index | 3244 |
| Other Experimental Properties | Hydroxyl radical reaction rate constant= 3.4X10-11 cu cm/molecule-sec at 25 °C /Estimated/ |
| Chemical Classes | Pesticides -> Herbicides, Protox-Inhibiting |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 403.9 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 403.0227396 g/mol |
| Monoisotopic Mass | 403.0227396 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 568 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Fluthiacet-methyl is a methyl ester resulting from the formal condensation of the carboxy group of fluthiacet with methanol. A proherbicide for fluthiacet, it is used for the control of broad-leaved weeds in crops such as maize and soya. It has a role as an agrochemical, an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor and a proherbicide. It is an organic sulfide, a methyl ester, a member of monochlorobenzenes, a member of monofluorobenzenes and a thiadiazolopyridazine. It is functionally related to a fluthiacet.