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Merck
CN

38586

Saflufenacil Metabolite M800H02

analytical standard

Synonym(s):

N′-[2-Chloro-5-(2,6-dioxo-4-(trifluoromethyl)-3,6-dihydro-1(2H)-pyrimidinyl)-4-fluorobenzoyl]-N-isopropyl-N-methylsulfamide, 2-Chloro-5-[3,6-dihydro-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-N-[[methyl(1-methylethyl)amino]sulfonyl]benzamide

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About This Item

Empirical Formula (Hill Notation):
C16H15ClF4N4O5S
CAS Number:
854122-75-1
Molecular Weight:
486.83
UNSPSC Code:
41116107

Key Documents

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SMILES string

O=C(C=C(C(F)(F)F)N1)N(C2=CC(C(NS(N(C)C(C)C)(=O)=O)=O)=C(Cl)C=C2F)C1=O

grade

analytical standard

product line

PESTANAL®

assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

application(s)

agriculture
environmental

format

neat

Quality Level

100

General description

M800H02 is a primary metabolite of saflufenacil, a novel herbicide, widely used against a variety of broadleaved weeds. It acts by impacting the key enzyme in the synthesis of chlorophyll.

Application

Saflufenacil metabolite M800H02 may be used as an analytical reference standard for the quantification of the analyte in cereals and fruits using quick, easy, cheap, effective, rugged, and safe (QuEChERS) extraction followed by triple quadrupole liquid chromatography mass spectrometry equipped with electrospray ionization (ESI) source operating in negative mode (LC-ESI-QqQ-MS) and validation using high-performance liquid chromatography coupled to tandem mass spectrometry (HPLC-MS/MS).

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

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
BCCH3454
BCCC1791
BCBV0228

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Simultaneous determination of saflufenacil and three metabolites in five agriculture products using liquid chromatography-Tandem mass spectrometry
Wu C, et al.
Journal of Food Biochemistry, 9, 1202-1215 (2019)

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