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Merck
CN

04175

Aldicarb-(N-methyl-13C,d3, carbamoyl-13C) sulfoxide

PESTANAL®, analytical standard

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About This Item

Empirical Formula (Hill Notation):
13C2C5D3H11N2O3S
CAS Number:
1261170-77-7
Molecular Weight:
211.27
NACRES:
NA.24
PubChem Substance ID:
329747892
UNSPSC Code:
77101502
MDL number:
MFCD17677364

Key Documents

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InChI key

BXPMAGSOWXBZHS-FONWFMSDSA-N

SMILES string

[2H][13C]([2H])([2H])N[13C](=O)O\N=C\C(C)(C)S(C)=O

InChI

1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+/i3+1D3,6+1

grade

analytical standard

isotopic purity

≥99.0 atom % 13C, ≥98.0 atom % D

product line

PESTANAL®

assay

≥98.5% (HPLC)

shelf life

limited shelf life, expiry date on the label

application(s)

agriculture
environmental

format

neat

mass shift

M+5

Quality Level

100

General description

Aldicarb-(N-methyl-13C,d3, carbamoyl-13C) sulfoxide is an isotope-labeled analog of the carbamate pesticide, aldicarb.

Application

Isotope-labeled compounds are increasingly used in isotope dilution mass spectrometry (IDMS) for the quantitative analysis of pesticides. The main advantage of using the IDMS technique is because isotope-labeled compounds have nearly the same physical properties as their non-labeled counterpart analog, 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.

Analysis Note

identification (LC-MS): identity conforms

Legal Information

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

pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

signalword

Danger

hcodes

H300,H400

Hazard Classifications

Acute Tox. 1 Oral - Aquatic Acute 1

Storage Class

6.1B - Non-combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCC1853
BCBV7086

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Aldicarb poisoning
Ragouc-Sengler C, et al.
Human & Experimental Toxicology, 19(12), 657-662 (2000)

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