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32072

Supelco

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
Beilstein:
11608
EC Number:
211-601-4
MDL number:
MFCD01311011
UNSPSC Code:
41116107
PubChem Substance ID:
329753728

grade

analytical standard

Quality Level

100

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

Recommended products

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

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

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
SZBE216XV

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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)
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
Fengxia Yang et al.
The Science of the total environment, 581-582, 136-143 (2017-01-10)
At present, very little is known about the persistence and spread pathway of KPC-2 genes in the environment. Our previous study reported the prevalence and persistence of KPC-2 genes in wastewater treatment plants (WWTPs). In the present work, we investigated
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