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Supelco

Isoxaflutole

PESTANAL®, analytical standard

Synonym(s):

5-Cyclopropyl-4-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]isoxazole

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About This Item

Empirical Formula (Hill Notation):
C15H12F3NO4S
CAS Number:
141112-29-0
Molecular Weight:
359.32
Beilstein/REAXYS Number:
8344543
MDL number:
MFCD03095707
UNSPSC Code:
41116107
PubChem Substance ID:
329757183
NACRES:
NA.24

grade

analytical standard

Quality Level

100

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

application(s)

agriculture
cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

SMILES string

CS(=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F

InChI

1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3

InChI key

OYIKARCXOQLFHF-UHFFFAOYSA-N

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General description

Isoxaflutole is a novel pre-emergence herbicide widely employed for the protection of corn and sugarcane against broadleaf and grass weeds. Its mode of action involves the facilitation of characteristic foliar bleaching activity in target species preceding the plant death.

Application

Isoxaflutole may be used as an analytical reference standard for the determination of the analyte in blackcurrants and soya grain by gas chromatography-tandem mass spectrometry (GC-MS/MS) and liquid chromatography-tandem mass spectrometry (LC-MS/MS), respectively.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Warning

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
BCCD9420
BCBZ6598
BCBT2782
SZBF317XV
SZB9174XV

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K E Pallett et al.
Pest management science, 57(2), 133-142 (2001-07-18)
This paper reviews the discovery of isoxaflutole (IFT), focusing on the chemical and physicochemical properties which contribute to the herbicidal behaviour of this new herbicide. IFT (5-cyclopropyl-1,2-isoxazol-4-yl alpha alpha alpha-trifluoro-2-mesyl-p-tolyl ketone) is a novel herbicide for pre-emergence control of a
Sharon K Papiernik et al.
Journal of agricultural and food chemistry, 55(21), 8630-8639 (2007-09-21)
Two-year field dissipation studies were conducted in three soil types in Minnesota to examine the processes affecting the dissipation of the herbicide isoxaflutole and its phytotoxic diketonitrile metabolite (DKN) under relatively cool, wet soil conditions. Plots of cuphea were treated
Validation and use of a QuEChERS-based gas chromatographic-tandem mass spectrometric method for multiresidue pesticide analysis in blackcurrants including studies of matrix effects and estimation of measurement uncertainty.
Walorczyk S.
Talanta, 120(2), 106-113 (2014)
R N Lerch et al.
Journal of agricultural and food chemistry, 55(5), 1893-1899 (2007-02-08)
Isoxaflutole (IXF; Balance) belongs to a new class of isoxazole herbicides. Isoxaflutole has a very short half-life in soil and rapidly degrades to a stable and phytotoxic degradate, diketonitrile (DKN). DKN was previously discovered to rapidly react with hypochlorite (OCl-)
Lionel Alletto et al.
Environmental pollution (Barking, Essex : 1987), 156(3), 678-688 (2008-07-29)
Laboratory studies were conducted to evaluate the effects of temperature and water pressure head on the degradation of the diketonitrile metabolite (DKN) of isoxaflutole during 84d in samples collected in a loamy soil under conventional (CT) and conservation (MT) tillage
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