Chlormequat-1,1,2,2-d₄ chloride

SIAL/00291 - PESTANAL^®, analytical standard

Synonym: (2-Chloroethyl-d₄)trimethylammonium chloride; Chlorocholine-1,1,2,2-d₄ chloride

Empirical Formula (Hill Notation): C₅D₄H₉Cl₂N
Molecular Weight: 162.09
MDL Number: MFCD04112639
Linear Formula: C₅D₄H₉Cl₂N
Product Type: Chemical

application(s)	agriculture
assay	≥98.0% (HPLC)
format	neat
grade	analytical standard
InChI	1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1/i4D2,5D2;
InChI key	UHZZMRAGKVHANO-HGFPCDIYSA-M
isotopic purity	≥99 atom % D
product line	PESTANAL^®
Quality Level	100
shelf life	limited shelf life, expiry date on the label
SMILES string	ClC([2H])([2H])C([2H])([2H])[N+](C)(C)C.[Cl-]

Application:

Surface-enhanced Raman spectroscopy charged probes under inverted superhydrophobic platform for detection of agricultural chemicals residues in rice combined with lightweight deep learning network: This study demonstrates a novel application of Chlormequat-1,1,2,2-d4 Cl in the detection of agricultural chemicals in rice. The use of surface-enhanced Raman spectroscopy provides enhanced sensitivity and specificity, facilitated by an inverted superhydrophobic platform and integrated with a lightweight deep learning network for efficient analysis (Weng et al., 2023 ).

Highly water-dispersible hydroxyl functionalized covalent organic frameworks as matrix for enhanced MALDI-TOF MS identification and quantification of quaternary ammonium salts in water and fruits: This research explores the use of Chlormequat-1,1,2,2-d4 Cl in enhancing the performance of covalent organic frameworks used as matrices in MALDI-TOF MS for the detection and quantification of quaternary ammonium salts. The hydroxyl functionalization contributes to the dispersibility in water, offering significant improvements in the identification process in water and fruit samples (Zheng et al., 2022 ).

The disrupting effect of chlormequat chloride on growth hormone is associated with pregnancy: This study investigates the biological impact of Chlormequat-1,1,2,2-d4 Cl, specifically its disruptive effects on growth hormone regulation during pregnancy. The findings are critical for understanding the biochemical pathways affected by this compound and its implications in reproductive health (Wu et al., 2024 ).

Chlormequat chloride induced activation of calmodulin mediated PI3K/AKT signaling pathway led to impaired sperm quality in pubertal mice: This publication details the detrimental effects of Chlormequat-1,1,2,2-d4 Cl on sperm quality in mice, mediated through the activation of the calmodulin-dependent PI3K/AKT signaling pathway. Such studies are vital for evaluating the reproductive toxicology of Chlormequat and related compounds (Wang et al., 2024 ).

Legal Information:

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

Purity	≥98.0% (HPLC)
UNSPSC	77101502