Products for Research Use Only

Pyroxasulfone

CAT: 1459-CS-P-02012Size: 1 EachDry Ice: NoHazardous: No
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Description
Pyroxasulfone is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. The product is supplied by Clearsynth under CAT No. CS-P-02012. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
447399-55-5
Synonyms
Pyroxasulfone
Molecular Formula
C 12 H 14 F 5 N 3 O 4 S
Molecular Weight
391.31
Additionnal Information
Pyroxasulfone is supplied with detailed characterization data compliant with regulatory guideline. Pyroxasulfone can be used for analytical method development, method validation (AMV), Quality Control (QC), ANDA-related analytical work, and commercial pharmaceutical research applications.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Pyroxasulfone

Pyroxasulfone is a member of the class of pyrazoles that is 1H-pyrazole substituted by methyl, trifluoromethyl, (5,5-dimethyl-4,5-dihydro-1,2-oxazole-3-sulfonyl)methyl, and difluoromethoxy groups at positions 1, 3, 4, and 5, respectively. It is a herbicide that inhibits the biosynthesis of very-long-chain fatty acids and used for the pre-emergent control of annual ryegrass, barley grass, and suppression of specific grass weeds in wheat. It has a role as a herbicide. It is a member of pyrazoles, an aromatic ether, a sulfone, an organofluorine compound and an isoxazoline.

CAS Number447399-55-5
PubChem CID11556910
IUPAC Name3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole
Molecular FormulaC12H14F5N3O4S
Molecular Weight391.32
XLogP2.1
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity632
SMILES
CC1(CC(=NO1)S(=O)(=O)CC2=C(N(N=C2C(F)(F)F)C)OC(F)F)C
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
Chemical Structure
2D Structure
2D structure of Pyroxasulfone
CAS: 447399-55-5
CID: 11556910
Formula: C12H14F5N3O4S
MW: 391.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight391.32
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass391.06251792
Monoisotopic Mass391.06251792
Topological Polar Surface Area91.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes