32072
Simeton
PESTANAL®, analytical standard
Synonym(s):
2,4-Bis(ethylamino)-6-methoxy-s-triazine, N2,N4-Diethyl-6-methoxy-1,3,5-triazine-2,4-diamine, NSC 163050, Simetone
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About This Item
Empirical Formula (Hill Notation):
C8H15N5O
CAS Number:
Molecular Weight:
197.24
EC Number:
211-601-4
UNSPSC Code:
41116107
PubChem Substance ID:
Beilstein/REAXYS Number:
11608
MDL number:
grade
analytical standard
Quality Segment
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
CCNc1nc(NCC)nc(OC)n1
InChI
1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
InChI key
HKAMKLBXTLTVCN-UHFFFAOYSA-N
General description
Simeton is an alkoxytriazine, which is mostly used as pesticide.
Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Simeton has been used as internal standard in ESI-LC/MS method for quantifying environmental
contaminants and in LC-MS/MS analysis for determination of pesticide residue from constructed wetlands.3
contaminants and in LC-MS/MS analysis for determination of pesticide residue from constructed wetlands.3
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 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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Development of primary standards for mass spectrometry to increase accuracy in quantifying environmental contaminants.
Oates RP et.al.
Journal of Chromatography A, 1506, 134-137 (2017)
Jie Hou et al.
Environmental science and pollution research international, 23(2), 1722-1731 (2015-09-24)
Several parameters of the method, solid-phase extraction (SPE)-ultra-performance liquid chromatography (UPLC)-tandem mass spectrometry (MS/MS), were optimized to investigate the presence and partitioning of 18 antibiotics (including sulfonamides, tetracyclines, quinolones, macrolides, and β-lactams) during various processing stages at two typical pharmaceutical
Erik S Blomain et al.
Cancer biology & therapy, 21(5), 441-451 (2020-02-11)
Sporadic colorectal cancer initiates with mutations in APC or its degradation target β-catenin, producing TCF-dependent nuclear transcription driving tumorigenesis. The intestinal epithelial receptor, GUCY2C, with its canonical paracrine hormone guanylin, regulates homeostatic signaling along the crypt-surface axis opposing tumorigenesis. Here
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 32072-25MG | 04061826702109 |