34505

Mecoprop-(4-chloro-2-methylphenoxy-d₆)

PESTANAL^®, analytical standard

• Synonym(s): 2-(4-Chloro-2-methyl-d₃-phenoxy-d₃)propionic acid, Mecoprop-d₆
• Empirical Formula (Hill Notation): C₁₀D₆H₅ClO₃
• CAS Number: 1705649-54-2
• Molecular Weight: 220.68
• MDL number: MFCD11616829
• UNSPSC Code: 12352200
• PubChem Substance ID: 329754987
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• product line: PESTANAL^®
• shelf life: limited shelf life, expiry date on the label
• application(s): agriculture; environmental
• format: neat
• SMILES string: ClC1=C([2H])C([2H])=C(OC(C(O)=O)C)C(C([2H])([2H])[2H])=C1[2H]
• InChI: 1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/i1D3,3D,4D,5D
• InChI key: WNTGYJSOUMFZEP-YFNZQJCKSA-N

Description

General description

Mecoprop-(4-chloro-2-methylphenoxy-d₆) is an isotope labeled analog of the post-emergence herbicide mecoprop, wherein the C-3, C-5, C-6 protons and C-2 methyl protons of the phenyl moiety are replaced by deuterium.[1]

application

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

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H302,H315,H318
• pcodes: P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338 - P332 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable