128639-02-1
Product Name:
CARFENTRAZONE-ETHYL
Formula:
C15H14Cl2F3N3O3
Synonyms:
Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro-phenyl}propionate;Ethyl-α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow liquid; [Merck Index] Yellow-orange liquid with a mild odor of petroleum; [HSDB] Viscous yellow-orange liquid; [ACGIH] |
|---|---|
| Color/Form | Viscous yellow-orange liquid |
| Odor | Faint petroleum odor |
| Boiling Point | 350-355 °C |
| Melting Point | -22.1 °C |
| Solubility | In water, 12 mg/L at 20 °C, 22 mg/L at 25 °C, and 23 mg/L at 30 °C. |
| Density | 1.457 g/cu cm at 20 °C |
| Vapor Pressure | 0.00000012 [mmHg] |
| LogP | log Kow = 3.36 |
| Stability/Shelf Life | Hydrolytic DT50 3.6 hr (pH 9), 8.6 days (pH 7), stable (pH 5). Aqueous photolytic DT50 8 days. |
| pH | pH of 1% aqueous solution = 5.8 |
| Collision Cross Section | 179.54 Ų [M+H]+ 186.52 Ų [M+Na]+ |
| Kovats Retention Index | 2327 |
| Chemical Classes | Pesticides -> Herbicides, Protox-Inhibiting |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P391:Collect spillage. Hazardous to the aquatic environment P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 412.2 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 411.0364312 g/mol |
| Monoisotopic Mass | 411.0364312 g/mol |
| Topological Polar Surface Area | 62.2 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 582 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate is an ethyl ester resulting from the formal condensation of the carboxy group of 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid with ethanol. It has a role as a proherbicide.