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Merck
CN

31571

Diafenthiuron

PESTANAL®, analytical standard

Synonym(s):

1-tert-Butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)-thiourea, N-[2,6-Bis(1-methylethyl)-4-phenoxyphenyl]-N′-(1,1-dimethylethyl)-thiourea

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About This Item

Empirical Formula (Hill Notation):
C23H32N2OS
CAS Number:
80060-09-9
Molecular Weight:
384.58
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329753824
MDL number:
MFCD01311814
Beilstein/REAXYS Number:
8343025

Key Documents

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Product Name

Diafenthiuron, PESTANAL®, analytical standard

InChI key

WOWBFOBYOAGEEA-UHFFFAOYSA-N

SMILES string

CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C

InChI

1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)

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

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Application

Diafenthiuron may be used as a reference standard for the analysis of diafenthiuron in:
  • Cotton and groundnut oil by quick, easy, cheap, effective, rugged, and safe (QuEChERS) extraction procedure, low-temperature freezing and dispersive clean-up followed by quantification using gas chromatography (GC) equipped with electron capture detector (ECD) as well as flame photometric detector (FPD) and liquid chromatography-tandem mass spectrometry (LC-MS/MS).
  • Tomatoes by QuEChERS extraction and LC combined with triple quadrupole MS/MS with electrospray ionization source (ESI).
  • Fruit juice samples by ionic liquid-assisted liquid-phase microextraction based on the solidification of floating organic droplets (ILSFOD-LLME) and high performance liquid chromatography (HPLC) equipped with a variable-wavelength detector (VWD).
  • Water and wastewater by solid phase extraction (SPE) and LC combined with time-of-flight (TOF) MS.

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

Diafenthiuron is classified under the thiourea family of insecticides which are widely used for crop protection.

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

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 2

flash_point_f

>300.2 °F - closed cup

flash_point_c

> 149 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

农药列管产品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCN5897
BCCF6583
BCBS9893V

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The thiourea insecticide diafenthiuron inhibits mitochondrial ATPase in vitro and in vivo by its carbodiimide product.
F Ruder et al.
Biochemical Society transactions, 22(1), 241-244 (1994-02-01)
H Kayser et al.
Pest management science, 57(10), 975-980 (2001-11-07)
The thiourea insecticide/acaricide diafenthiuron represents a biologically inactive propesticide that requires transformation into the active carbodiimide derivative. The carbodiimide inhibits mitochondrial respiration by selective and covalent binding to the proteolipid (8 kDa) of Fo-ATPase in the inner membrane and to
Ionic liquid-assisted liquid-phase microextraction based on the solidification of floating organic droplets combined with high performance liquid chromatography for the determination of benzoylurea insecticide in fruit juice.
Yang M, et al.
Journal of Chromatography A, 1360(3), 47-56 (2014)
Dissipation of foliar residues of diafenthiuron and its metabolites.
Y S Keum et al.
Bulletin of environmental contamination and toxicology, 68(6), 845-851 (2002-05-16)
Multi-residue method for the determination of over 400 priority and emerging pollutants in water and wastewater by solid-phase extraction and liquid chromatography-time-of-flight mass spectrometry
Robles-Molina J, et al.
Journal of Chromatography A, 1350(3), 30-43 (2014)
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