142459-58-3
Product Name:
Flufenacet
Formula:
C14H13F4N3O2S
Synonyms:
N-(4-Fluorophenyl)-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetamide
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White to tan solid; [Merck Index] Light beige powder; [MSDSonline] |
|---|---|
| Color/Form | White to tan solid |
| Odor | Mercaptan-like odor |
| Boiling Point | Decomposes |
| Melting Point | 76-79 °C |
| Solubility | Solubility in organic solvents (g/L at 20 °C): n-hexane - 8.7; toluene - >200; dichloromethane - >200; 2-propanol - 170; 1-octanol - 88; polyethylene glycol - 74; acetone - >200; dimethylformamide - >200; acetonitrile - >200; dimethylsulfoxide - >200 |
| Density | 1.312 g/mL |
| Vapor Pressure | 0.00000067 [mmHg] |
| LogP | Kow = 1600 at 24 °C (log Kow = 3.20) |
| Stability/Shelf Life | Stable at normal warehouse temperatures. Corroded tinplate, steel & brass. Did not corrode aluminum & stainless steel. |
| Corrosivity | Non-corrosive to equipment and metal surfaces |
| Dissociation Constants | Does not dissociate |
| Other Experimental Properties | Stable to hydrolysis at pH 5-9; Stable to photolysis at pH 5 |
| Chemical Classes | Pesticides -> Herbicides, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P314:Get medical advice/attention if you feel unwell. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 363.33 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 363.06646049 g/mol |
| Monoisotopic Mass | 363.06646049 g/mol |
| Topological Polar Surface Area | 83.6 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 431 |
| 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
Flufenacet is an aromatic amide that is acetamide in which the amino hydrogens have been replaced by a propan-2-yl and 4-fluorophenyl groups while the methyl hydrogen is replaced by a [5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy group. It has a role as an environmental contaminant, a xenobiotic and a herbicide. It is a member of monofluorobenzenes, an aromatic amide and a member of thiadiazoles.