45462
二氰蒽醌
PESTANAL®, analytical standard
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关于此项目
经验公式（希尔记法）:
C14H4N2O2S2
化学文摘社编号:
分子量:
296.32
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
222-098-6
Beilstein/REAXYS Number:
1325563
MDL number:
产品名称
二氰蒽醌, PESTANAL®, analytical standard
InChI key
PYZSVQVRHDXQSL-UHFFFAOYSA-N
InChI
1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H
SMILES string
O=C1C2=C(SC(C#N)=C(S2)C#N)C(=O)c3ccccc13
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
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Application
Dithianon may be used as an analytical reference standard for the determination of dithianon in:
- Surface water samples by solid-phase extraction (SPE) and liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (LC-Q-TOFMS).
- Honeybees by dispersive-SPE followed by liquid and gas chromatography coupled to tandem mass spectrometry (LC-MS/MS and GC-MS/MS) equipped with electrospray ionization (ESI) and multiple reaction monitoring (MRM) detection.
- Apples by quick, easy, cheap, effective, rugged and safe (QuEChERS) extraction as well as high performance thin-layer chromatography (HPTLC) clean-up procedures and GC-MS/MS.
- Tomatoes by QuEChERS extraction and LC coupled to triple quadrupole (QqQ) ESI-MS/MS with MRM detection.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
General description
Dithianons belong to the quinone class of fungicides.
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
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
法规信息
农药列管产品
此项目有
L Pozzetti et al.
Cancer letters, 141(1-2), 47-56 (1999-08-24)
With the aim of evaluating the co-carcinogenic properties of dithianon, the regio- and stereo-selective hydroxylation of testosterone was used as a multibiomarker of effect for cytochrome P450 (CYP) changes. CYP-catalysed reactions have been studied in liver, kidney and lung microsomes
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(5), 100-114 (2016)
Alice Passoni et al.
European journal of mass spectrometry (Chichester, England), 22(5), 261-267 (2016-11-25)
An automated online solid-phase extraction-liquid chromatography mass spectrometry (SPE-LC/MS) method was developed for the quantification of dithianon in surface water samples, using warfarin as internal standard. The method was developed on a liquid chromatography (LC) system with Flexible Cube interfaced
Ivan Halasz et al.
Acta crystallographica. Section B, Structural science, 68(Pt 6), 661-666 (2012-11-21)
The crystal structures of four polymorphs of the pesticide dithianon (5,10-dihydro-5,10-dioxonaphtho[2,3-b]-1,4-dithiine-2,3-dicarbonitrile) have been solved from powder diffraction data and refined using the Rietveld method. Three polymorphs crystallize in non-centrosymmetric space groups. Two polymorphs have Z' > 1. The structures are
Peter Gildemacher et al.
FEMS yeast research, 6(8), 1149-1156 (2006-12-13)
The effect of inoculations with yeasts occurring on apple surfaces and fungicide treatments on the russeting of Elstar apples was studied. Captan, dithianon and a water treatment were implemented to study the interaction between the fungicides, the inoculated yeast species
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