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Merck
CN

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:
673-04-1
Molecular Weight:
197.24
EC Number:
211-601-4
UNSPSC Code:
41116107
PubChem Substance ID:
329753728
Beilstein/REAXYS Number:
11608
MDL number:
MFCD01311011

Key Documents

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InChI key

HKAMKLBXTLTVCN-UHFFFAOYSA-N

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)

SMILES string

CCNc1nc(NCC)nc(OC)n1

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

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

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

Exclamation mark
GHS07

signalword

Warning

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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Certificates of Analysis (COA)

Lot/Batch Number
BCCG9049
BCCB2137
BCBZ6967
BCBS0809V

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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)
Developments in the mechanism of photodegradation of triazine-based pesticides.
Canle, L. M., M. I. Fernandez, and J. A. Santaballa.
Journal of Physical Organic Chemistry, 18.2, 148-155 (2005)
Wenjing Deng et al.
Ecotoxicology and environmental safety, 125, 121-127 (2015-12-22)
The occurrence and distribution of six typical antibiotics in the main rivers of Hong Kong were investigated using high-performance liquid chromatography electrospray ionization tandem mass spectrometry (HPLC-ES-MS/MS). The results revealed that the antibiotics were widely distributed in the area studied.
Purna K Boruah et al.
Chemosphere, 268, 129328-129328 (2020-12-29)
A facile and an eco-friendly reduction and functionalization of reduced graphene oxide (rGO) sheets is carried out using dopamine and decorated with magnetic Fe3O4 nanoparticles with an average size of 12 nm by a simple co-precipitation method which is established as
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
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