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ChemicalBook--->CAS DataBase List--->143701-75-1

143701-75-1

143701-75-1 Structure

143701-75-1 Structure
IdentificationBack Directory
[Name]

RPA 202248
[CAS]

143701-75-1
[Synonyms]

benzenepr
3-Cyclopr
RPA 202248
RPA 202248,100ppm
Isoxaflutole-diketonitrile
Isoxaflutole Metabolite B Standard
Isoxaflutole diketonitrile RPA 202248
RPA 202248 (a metabolite of isoxaflutol)
1-(Methylsulfonyl-4-trifluoromethyl phenyl)-2-cyano-3-cyclop
1-(METHYLSULFONYL-4-TRIFLUOROMETHYL PHENYL)-2-CYANO-3-CYCLOPROPYL PROPYL-1,3 DIO
Alpha-(Cyclopropylcarbonyl)-2-(methylsulfonyl)-b-oxo-4-(trifluoromethyl)benzenepropanenitrile
2-(Cyclopropanecarbonyl)-3-(2-(methylsulfonyl)-4-(trifluoromethyl)phenyl)-3-oxopropanenitrile
[Molecular Formula]

C15H12F3NO4S
[MDL Number]

MFCD09037773
[MOL File]

143701-75-1.mol
[Molecular Weight]

359.32
Chemical PropertiesBack Directory
[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)
[form ]

Solid
[pka]

1.14±0.20(Predicted)
[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)
Hazard InformationBack Directory
[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.
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