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About This Item
Empirical Formula (Hill Notation):
C14H15Cl2N3O
CAS Number:
Molecular Weight:
312.19
NACRES:
NA.24
UNSPSC Code:
41116107
MDL number:
Beilstein/REAXYS Number:
13200866
grade
analytical standard
Quality Level
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
SMILES string
OC(Cc1ccccc1Cl)(Cn2cncn2)C3(Cl)CC3
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
InChI key
HHUQPWODPBDTLI-UHFFFAOYSA-N
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
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signalword
Warning
hcodes
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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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)
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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 32429-20MG | 04061826710746 |

