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Merck
CN

32429

Prothioconazole-desthio

PESTANAL®, analytical standard

Synonym(s):

α-(1-Chlorocyclopropyl)-α-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-1-ethanol

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About This Item

Empirical Formula (Hill Notation):
C14H15Cl2N3O
CAS Number:
120983-64-4
Molecular Weight:
312.19
NACRES:
NA.24
UNSPSC Code:
41116107
MDL number:
MFCD29916113
Beilstein/REAXYS Number:
13200866

Key Documents

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InChI

1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2

SMILES string

OC(Cc1ccccc1Cl)(Cn2cncn2)C3(Cl)CC3

InChI key

HHUQPWODPBDTLI-UHFFFAOYSA-N

grade

analytical standard

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

agriculture
environmental

format

neat

Quality Level

100

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General description

Prothioconazole-desthio is a major chiral metabolite of prothioconazole fungicide.

Application

Prothioconazole-desthio may be used as an analytical reference standard for the determination of the analyte in:
  • Rapeseed oil samples by gas chromatography coupled to electron capture detection (GC-ECD).
  • Food samples of animal origin by high performance liquid chromatography combined with electrospray ionization-tandem mass spectrometry (HPLC-ESI-MS/MS).
  • Honeybees by dispersive solid-phase extraction (dSPE) combined with LC coupled to electron ionization (EI) MS/MS operating in multiple reaction monitoring (MRM) mode of detection.

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

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 - 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
BCCN1838
BCCJ7867
BCCH9817
BCCH3188
BCCC7798

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Simultaneous enantioselective determination of the chiral fungicide Prothioconazole and its major chiral metabolite Prothioconazole-desthio in food and environmental samples by Ultraperformance liquid chromatography-tandem mass spectrometry.
Zhang Z, et al.
Journal of Agricultural and Food Chemistry, 65(37), 8241-8247 (2017)
An improved extraction method of rapeseed oil sample preparation for the subsequent determination in it of azole class fungicides by gas chromatography.
Zayats MF, et al.
Analytical Chemistry Research, 3(37), 37-45 (2015)
Multi-residue method for the determination of pesticides and pesticide metabolites in honeybees by liquid and gas chromatography coupled with tandem mass spectrometry?Honeybee poisoning incidents.
Kiljanek T, et al.
Journal of Chromatography A, 1435(11), 100-114 (2016)
Approach for pesticide residue analysis for metabolite prothioconazole-desthio in animal origin food.
Liu H, et al.
Journal of Agricultural and Food Chemistry, 65(11), 2481-2487 (2017)
Iza Matarashvili et al.
Journal of separation science, 38(24), 4173-4179 (2015-10-27)
The separation of the stereoisomers of 23 chiral basic agrochemicals was studied on six different polysaccharide-based chiral columns in high-performance liquid chromatography with various polar organic mobile phases. Along with the successful separation of analyte stereoisomers, emphasis was placed on

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