ISOXAFLUTOLE CAS 141112-29-0
Introduction：Basic information about ISOXAFLUTOLE CAS 141112-29-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
ISOXAFLUTOLE Basic information
| Product Name: | ISOXAFLUTOLE |
| Synonyms: | MERLIN;BALANCE;ISOXAFLUTOLE;ISOXAFLUTOLE 45% SOLUTION;5-cyclopropyl-4-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]isoxazole;isoxaflutole (bsi, pa iso);isoxaflutole (ISO) 5-cyclopropyl-1,2-oxazol-4-yl α,α,α-trifluoro-2-mesyl-p-tolyl ketone;Isoxaflutole 0 |
| CAS: | 141112-29-0 |
| MF: | C15H12F3NO4S |
| MW: | 359.32 |
| EINECS: | 277-704-1 |
| Product Categories: | |
| Mol File: | 141112-29-0.mol |
ISOXAFLUTOLE Chemical Properties
| Melting point | 138-138.5° (Cain); mp 140° |
| Boiling point | 575.1±50.0 °C(Predicted) |
| density | 1.59 |
| Fp | >130 °C |
| storage temp. | Sealed in dry,2-8°C |
| solubility | Chloroform, DCM, Ethyl Acetate, Methanol |
| pka | -4.29±0.50(Predicted) |
| form | Solid |
| color | White |
| BRN | 8344543 |
| Major Application | agriculture cleaning products cosmetics environmental food and beverages personal care |
| InChI | InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3 |
| InChIKey | OYIKARCXOQLFHF-UHFFFAOYSA-N |
| SMILES | C(C1=C(C2CC2)ON=C1)(C1=CC=C(C(F)(F)F)C=C1S(C)(=O)=O)=O |
| LogP | 2.320 |
| CAS DataBase Reference | 141112-29-0 |
| EPA Substance Registry System | Isoxaflutole (141112-29-0) |
Safety Information
| Hazard Codes | Xn,N |
| Risk Statements | 50/53-63 |
| Safety Statements | 36/37-60-61 |
| RIDADR | UN3077 9/PG 3 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Repr. 2 |
| Hazardous Substances Data | 141112-29-0(Hazardous Substances Data) |
| Toxicity | LD50 in rats, quails, mallard ducks (mg/kg): >5000, >2150, >2150 orally; in rabbits (mg/kg): >2000 dermally (Luscombe) |
| Description | Isoxaflutole is a 4-benzoyl isoxazole molecule and is usedas a pre- and early post-emergence herbicide for the controlof a wide range of important broadleaf and grass weeds inmaize (Zea mays), both in Europe and in North America.It is also registered for use in sugarcane in Central andSouth America (2–4). It causes characteristic bleaching ofnewly developed tissues of susceptible species followed bygrowth cessation and necrosis. Marketed as Balance forcorn (maize) in the United States, and Merlin for corn inEurope; and in sugarcane, it mixes well with metolachlor,acetochlor, dimethenamid, and atrazine to complete theweed spectrum and to reduce the application rates of thelatter compounds (2). Isoxaflutole also controls triazineresistantweeds in the field (4). |
| Uses | Isoxaflutole is an pesticide used to selectively control both grass and broad-leaved weeds in maize and sugar cane. Isoxaflutole is known to work by inhibiting the enzyme 4-Hydroxyphenylpyruvate dioxygenase (HPPD) which results in the disruption of pigment biosynthesis. |
| Uses | Herbicide. |
| Definition | ChEBI: Isoxaflutole is a member of the class of isoxazoles that is 1,2-oxazole substituted by a 2-(methanesulfonyl)-4-(trifluoromethyl)benzoyl group and a cyclopropyl group at positions 4 and 5, respectively. It is a 4-hydroxyphenylpyruvate dioxygenase inhibitor which is used as a herbicide for weed control in maize and sugarcane. It has a role as an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor, a proherbicide and an agrochemical. It is a member of cyclopropanes, a member of isoxazoles, an aromatic ketone, a member of (trifluoromethyl)benzenes and a sulfone. |
| Pharmacology | Isoxaflutole is readily taken up by roots and foliartissues and then rapidly degraded to a diketonitrile derivative(2-cyclopropyl-3-(2-mesyl-4-trifluoromethylphenyl)-3-oxo propanenitrile) , which is translocatedthroughout the plant via xylem and phloem (2,3,6,8). Itis this metabolite that inhibits HPPD (7), thereby depletingthe plastoquinone pools in developing leaves. Plastoquinoneis a cofactor in the desaturation of phytoene, levelsof which increase in bleached leaves, concomitant withdecreases in colored carotenoids (6). Although bleachingis the primary symptom associated with HPPD inhibition,subsequent growth suppression and necrosis are alsobelieved to be a consequence (8). Isoxaflutole also degrades to the diketonitrile derivativein the soil (3,8). The half-life of isoxaflutole in soilis dependent on soil type, pH, and moisture, rangingfrom 12 hours to 3 days under laboratory conditions (8).The physicochemical properties of isoxaflutole and ofdiketonitrile play an important role in both soil andherbicidal activity and selectivity (8). |
ISOXAFLUTOLE Preparation Products And Raw materials
| Raw materials | Cyclopropyl methyl ketone-->Benzonitrile, 2-(methylthio)-4-(trifluoromethyl)--->2-Methylthio-4-trifluoroMethylbenzoic Acid Methyl Ester-->2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE |
