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Pyrasulfotole

PESTANAL®, analytical standard

Synonym(s):

(5-Hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone, (5-Hydroxy-1,3-dimethylpyrazol-4-yl)(α,α,α-trifluoro-2-mesyl-p-tolyl)methanone

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About This Item

Empirical Formula (Hill Notation):
C14H13F3N2O4S
CAS Number:
365400-11-9
Molecular Weight:
362.32
MDL number:
MFCD11616764
UNSPSC Code:
41116107
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
environmental

format

neat

SMILES string

Cc1nn(C)c(O)c1C(=O)c2cc(ccc2S(C)(=O)=O)C(F)(F)F

InChI

1S/C14H13F3N2O4S/c1-7-11(13(21)19(2)18-7)12(20)9-5-4-8(14(15,16)17)6-10(9)24(3,22)23/h4-6,21H,1-3H3

InChI key

DWSPRBSLSXQIEJ-UHFFFAOYSA-N

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General description

Pyrasulfotole, a 4-hydroxyphenylpyruvate dioxygenase inhibitor, is well-known for its role in weed control, as well as excellent crop selectivity.

Application

Pyrasulfotole may be used as an analytical reference standard for the determination of the analyte in:
  • Agricultural products by liquid chromatography-time of flight mass spectrometry (LC-TOF-MS).
  • Vegetables and fruits by LC coupled to tandem mass spectrometry (MS/MS).

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Recommended products

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

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 - STOT RE 2 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCK4041
BCBZ7842
SZBE274XV
SZBC026XV
SZBA203XV

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Simultaneous determination of acidic pesticides in vegetables and fruits by liquid chromatography-tandem mass spectrometry.
Shida SS, et al.
Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes, 50(3), 151-162 (2015)
Multi-residue screening method of acidic pesticides in agricultural products by liquid chromatography/time of flight mass spectrometry.
Akiyama Y, et al.
Journal of Pesticide Science, 0909020093-0909020093 (2009)
An efficient one-pot synthesis of 2-(aryloxyacetyl) cyclohexane-1, 3-diones as herbicidal 4-hydroxyphenylpyruvate dioxygenase inhibitors.
Wang DW, et al.
Journal of Agricultural and Food Chemistry, 64(47), 8986-8993 (2016)
Bo He et al.
Journal of agricultural and food chemistry, 67(39), 10844-10852 (2019-09-19)
The discovery of 4-hydroxyphenylpyruvate dioxygenase (HPPD, EC 1.13.11.27) inhibitors has been an active area of research due to their great potential as herbicides for weed control. Starting from the binding mode of known inhibitors of HPPD, a series of HPPD

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