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Merck
CN

12607

Chlortoluron-(N,N-dimethyl-d6)

PESTANAL®, analytical standard

Synonym(s):

3-(3-Chloro-4-methyl)-1,1-dimethyl-d6-urea, Chlortoluron-d6

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About This Item

Empirical Formula (Hill Notation):
C10D6H7ClN2O
Molecular Weight:
218.71
UNSPSC Code:
77101502
PubChem Substance ID:
329749768
MDL number:
MFCD01632282

Key Documents

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InChI

1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)/i2D3,3D3

SMILES string

CC1=C(Cl)C=C(NC(N(C([2H])([2H])[2H])C([2H])([2H])[2H])=O)C=C1

InChI key

JXCGFZXSOMJFOA-XERRXZQWSA-N

grade

analytical standard

isotopic purity

≥99 atom % D

product line

PESTANAL®

assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

application(s)

agriculture

format

neat

Quality Level

100

General description

Chlortoluron-(N,N-dimethyl-d6) is an isotope labeled analog of the phenylurea herbicide chlortoluron, wherein the N,N-dimethyl protons are replaced by deuterium.

Application

Chlortoluron-(N,N-dimethyl-d6) may be used as an internal standard for the determination of antifouling pesticides by high performance liquid chromatography (HPLC) coupled to tandem mass spectrometry (MS/MS).
Isotope-labeled compounds are increasingly used in isotope dilution mass spectrometry (IDMS) for the quantitative analysis of pesticides. The major advantage of using this technique is that the isotope-labeled compounds have nearly the same physical properties as their non-labeled counterpart analogs, and thus show identical behavior during the workup and sample preparation process. This helps in overcoming the problems of matrix effects generally encountered in the usual LC-MS/GC-MS analysis, potentially resulting in biased results. By spiking the sample before workup with its isotope labeled analog, the loss of analyte that leads to matrix effects can be determined and compensated.

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 - Carc. 2 - Repr. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH8556
BCCC8389
BCBW0076

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Antifouling pesticides in the coastal waters of Southern California
Sapozhnikova Y, et al.
Marine Pollution Bulletin, 54(12), 1972-1978 (2007)
Experimental design methodology applied to electro-Fenton treatment for degradation of herbicide chlortoluron
Abdessalem AK, et al.
Applied Catalysis. B, Environmental, 78(3-4), 334-341 (2008)
Effects of the anti-fouling herbicide Irgarol 1051 on two life stages of the grass shrimp, Palaemonetes pugio
Key PB, et al.
Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes, 43(1), 50-55 (2008)

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