RPA 202248 Chemical Properties

Melting point:

110-112°C

Boiling point:

527.8±50.0 °C(Predicted)

Density 

1.460±0.06 g/cm3(Predicted)

storage temp. 

Refrigerator

solubility 

Chloroform (Slightly), Methanol (Slightly)

pka

1.14±0.20(Predicted)

form 

Solid

color 

White

InChI

InChI=1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3

InChIKey

ZTTKDUXKVPEXCG-UHFFFAOYSA-N

SMILES

c1cc(C(F)(F)F)cc(S(=O)(=O)C)c1C(=O)C(C#N)C(=O)C1CC1

EPA Substance Registry System

Benzenepropanenitrile, .alpha.-(cyclopropylcarbonyl)-2-(methylsulfonyl)-.beta.-oxo-4-(trifluoromethyl)- (143701-75-1)

RPA 202248 Usage And Synthesis

Uses

RPA 202248 is a derivative of isoxaflutole, a herbicide used for weed control.

Definition

ChEBI: 2-cyano-3-cyclopropyl-1-(2-mesyl-4-trifluoromethylphenyl)propan-1,3-dione is a beta-diketone and nitrile resulting from the the degradation of the isoxazole ring of isoxaflutole. The active herbicide of the proherbicide isoxaflutole. It has a role as a herbicide, an agrochemical and an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor. It is a sulfone, an aromatic ketone, a member of cyclopropanes, a member of (trifluoromethyl)benzenes, a nitrile and a beta-diketone.

Metabolism

Studies have shown that RPA 202248 has a half-life of 103 days and degrades slowly and steadily to form RPA 203328 (2-methylsulfonyl-4-trifluoromethylbenzoic acid), which has no herbicidal activity.