Diuron D6 (dimethyl D6)

Catalog Number	ACM1007536675-3
CAS	1007536-67-5
Structure
Synonyms	Urea, N'-(3,4-dichlorophenyl)-N,N-di(methyl-d3)-, N'-(3,4-Dichlorophenyl)-N,N-di(methyl-d3)urea, Diuron-D6, Diuron-D6 (dimethyl-D6)
IUPAC Name	3-(3,4-dichlorophenyl)-1,1-bis(trideuteriomethyl)urea
Molecular Weight	239.13
Molecular Formula	C9D6H4Cl2N2O
Canonical SMILES	[2H]C([2H])([2H])N(C(=O)Nc1ccc(Cl)c(Cl)c1)C([2H])([2H])[2H]
InChI	InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)/i1D3,2D3
Storage	+20 °C
Accurate Mass	238.0547
Format	Neat
Shipping Temperature	+20 °C
SIL Type	Deuterium
CAS (Unlabeled)	330-54-1

Case Study

Diuron D6 Used for the Adsorption Isotherm Study of Diuron in Freshwater Biofilms

Chaumet, Betty, et al. Science of The Total Environment, 2019, 651, 1219-1225.

Diuron is an herbicide that inhibits photosynthesis. In this work, biofilms were exposed to 7 increasing concentrations of diuron (from 1 to 500 μg·L-1) to study the behavior of diuron in biofilms. The finding revealed that bioaccumulation of diuron in biofilms is nonlinear and therefore it was possible to compute the Langmuir constant and the maximum concentration at which diuron could accumulate in biofilms (of 17,771 μg·g-1). Moreover, inhibition of photosynthesis took on a dose-response pattern and the EC50 was found to be 75 μg·L-1 at varying levels in water of diuron.
An internal standard solution was prepared with diuron D6 (purity: 98%) to obtain a final concentration of 10 mg/L. In experiments where pesticides were extracted and purified from biofilm matrices, 10 μL of diuron D6 internal standard was added to the eluate for subsequent pesticide analysis. Furthermore, in the diuron analysis experiment of liquid samples, 10% of the entire final sample volume of diuron D6 internal standard was added to the water sample, and diuron in the water sample and the prepared biofilm samples were quantitatively analyzed by UPLC-ToF.

Diuron-D6 for Determination of Diuron in Seaweed Samples by Quadruple Isotope Dilution Strategy

Tekin, Zeynep, et al. Journal of Chromatography A, 2020, 1611, 460612.

The liquid chromatography-quadrupole time-of-flight tandem mass spectrometry (LC-QTOF-MS/MS) system combined with quadruple isotope dilution mass spectrometry (ID4 MS) strategy can be used to determine trace amounts of diuron in seaweed samples. The detection limit and quantification limit of the LC-QTOF-MS/MS method were 14.6 µg kg-1 and 46.5 µg kg-1, respectively.
· ID4 MS strategy
The isotope dilution mass spectrometry strategy mitigates the influence of matrix effects by indirectly measuring the analyte of interest. This approach involves preparing calibration blends containing varying ratios of the analyte and its isotopically labeled analog. In this study, three calibration blends and five sample blends were prepared, each containing diuron and diuron-d6 at a concentration of 0.300 mg kg-1.
· MS/MS fragmentation
The precursor ions for diuron and diuron-d6 were identified at m/z 231.0092 and 237.0412, respectively. At a collision energy of 10 eV, the predominant ion for diuron was m/z 185.9355, resulting from the loss of dimethylamine. In contrast, the most intense fragment ion for diuron-d6, m/z 223.0619, was produced through the elimination of a deuterated methyl group. After its formation, the m/z 185.9355 ion further fragmented into a secondary product ion at m/z 149.9572 through the loss of an HCl group, while the ion at m/z 74.9876 originated from the benzene ring in the structure. The most intense fragments (m/z 231.0092 > 185.9355 for diuron, m/z 237.0412 > 223.0619 for diuron-d6) were selected for quantification purposes. The fragmentation pathways for both compounds are illustrated.

Please kindly note that our products and services are for research use only.

Online Inquiry



mg g kg ml L

Diuron D6 (dimethyl D6) (1007536-67-5)

SUBMIT