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1258836-72-4

1258836-72-4 Structure

1258836-72-4 Structure
IdentificationBack Directory
[Name]

1,5-dimethyl-6-thioxo-3-(2,2,7-trifluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-1,3,5-triazinane-2,4-dione
[CAS]

1258836-72-4
[Synonyms]

Trifludimoxazin
1,5-dimethyl-6-thioxo-3-(2,2,7-trifluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-1,3,5-triazinane-2,4-dione
1,3,5-Triazine-2,4(1H,3H)-dione, dihydro-1,5-dimethyl-6-thioxo-3-[2,2,7-trifluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-
[Molecular Formula]

C16H11F3N4O4S
[MOL File]

1258836-72-4.mol
[Molecular Weight]

412.34
Chemical PropertiesBack Directory
[Boiling point ]

555.1±60.0 °C(Predicted)
[density ]

1.69±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

-2.44±0.20(Predicted)
[color ]

Light yellow to khaki
[EPA Substance Registry System]

1,3,5-Triazine-2,4(1H,3H)-dione, dihydro-1,5-dimethyl-6-thioxo-3-[2,2,7-trifluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]- (1258836-72-4)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Environment (GHS09)
GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H400-H410-H373-H360
[Precautionary statements ]

P273-P391-P501-P273-P391-P501-P260-P314-P501
Hazard InformationBack Directory
[Uses]

Trifludimoxazin is a protoporphyrinogen oxidase inhibiting (PPO) herbicide[1]. Trifludimoxazin is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
[Definition]

ChEBI:Trifludimoxazin is a member of the class of 1,3,5-triazinanes that is 6-sulfanylidene-1,3,5-triazinane-2,4-dione in which the hydrogens attached to the nitrogens adjacent to the thioxo group have been replace by methyl groups and in which the hydrogen attached to the remaining nitrogen has replaced by a 2,2,7-trifluoro-3-oxo-4-(prop-2-yn-1-yl)-3,4-dihydro-1,4-benzoxazin-6-yl group. A protoporphyrinogen oxidase inhibitor, it is used as a herbicide. It has a role as a herbicide, an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor and an agrochemical. It is a benzoxazine, a member of 1,3,5-triazinanes and an organofluorine compound.
[References]

[1] Asher, Brady Scott, et al. Vertical mobility, soil adsorption, and cotton tolerance to three Protoporphyrinogen oxidase (PPO) inhibiting herbicides in three West Texas soils. Texas tech university.
Spectrum DetailBack Directory
[Spectrum Detail]

1,5-dimethyl-6-thioxo-3-(2,2,7-trifluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-1,3,5-triazinane-2,4-dione(1258836-72-4)1HNMR
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