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Product Overview

Product Code

TRC-P997770

CAS Number

447399-55-5

Product Format

Neat

Molecular Formula

C12 H14 F5 N3 O4 S

Molecular Weight

391.31

API Family

Pyroxasulfone

Product Categories

TRC, Pesticide & Metabolite Reference Materials and Research Chemicals , Herbicides and metabolites, Pharmaceutical Toxicology Reference Materials

Product Type

Contaminant

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Product Information

Chemical Data

Analyte Name

Pyroxasulfone

CAS Number

447399-55-5

Molecular Formula

C12 H14 F5 N3 O4 S

Molecular Weight

391.31

Accurate Mass

391.0625

SMILES

Cn1nc(c(CS(=O)(=O)C2=NOC(C)(C)C2)c1OC(F)F)C(F)(F)F

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

IUPAC

3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Pyroxasulfone

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