ChemicalBook--->CAS DataBase List--->447399-55-5

447399-55-5

447399-55-5 Structure

447399-55-5 Structure
IdentificationBack Directory
[Name]

pyroxasulfone
[CAS]

447399-55-5
[Synonyms]

KIH-485
pyroxasulfone
pyroxasulfone-002
Pyroxasulfone Solution
3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole
Isoxazole, 3-[[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]sulfonyl]-4,5-dihydro-5,5-dimethyl-
[EINECS(EC#)]

800-417-5
[Molecular Formula]

C12H14F5N3O4S
[MDL Number]

MFCD17167020
[MOL File]

447399-55-5.mol
[Molecular Weight]

391.31
Chemical PropertiesBack Directory
[Boiling point ]

418.1±55.0 °C(Predicted)
[density ]

1.59±0.1 g/cm3(Predicted)
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

-3.23±0.10(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C12H14F5N3O4S/c1-11(2)4-7(19-24-11)25(21,22)5-6-8(12(15,16)17)18-20(3)9(6)23-10(13)14/h10H,4-5H2,1-3H3
[InChIKey]

CASLETQIYIQFTQ-UHFFFAOYSA-N
[SMILES]

O1C(C)(C)CC(S(CC2=C(OC(F)F)N(C)N=C2C(F)(F)F)(=O)=O)=N1
[EPA Substance Registry System]

Isoxazole, 3-[[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]sulfonyl]-4,5-dihydro-5,5-dimethyl- (447399-55-5)
Safety DataBack Directory
[Symbol(GHS) ]

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

Danger
[Hazard statements ]

H410-H372
[Precautionary statements ]

P260-P264-P270-P314-P501-P273-P391-P501
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

Pyroxasulfone is an inhibitor of the biosynthesis of very-long-chain fatty acids. Pyroxasulfone is also used to control grass weed species in pre-emergence in major field crops.
[Production Methods]

Pyroxasulfone is commercially synthesised through a multi-step process that builds its unique isoxazoline-sulfonyl-pyrazole structure. The synthesis typically begins with the preparation of a substituted pyrazole intermediate, such as 5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-ylmethanol, which is then reacted with a sulfonylating agent and coupled to a dimethylisoxazoline moiety. This process involves selective fluorination, methylation, and sulfonylation steps under controlled conditions to ensure high purity and herbicidal efficacy.
[Mechanism of action]

Inhibition of very long chain fatty acids (VLCFA, inhibition of cell division)
[Pesticide Type]

Herbicide
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