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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:
Molecular Weight:
384.58
Beilstein:
8343025
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

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

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)

InChI key

WOWBFOBYOAGEEA-UHFFFAOYSA-N

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General description

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

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.

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

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

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Multi-functional groups of dithiocarbamate derivative assembly on gold nanoparticles for competitive detection of diafenthiuron.
Kailasa SK and Rohit JV
Sensors and Actuators B, Chemical, 244, 796-805 (2017)
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)
Lenli C Otoidobiga et al.
Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes, 38(6), 757-769 (2003-12-03)
Bioassays were conducted in 2001 and 2002 to estimate toxicities and dose-response relationships of 24 Bemisica tabaci Gennadius populations to pyriproxifen, acemitaprid, and diafenthiuron. LC50s ranging from 0.014 to 0.096 mgL(-1), 0.60 to 1.3 mgL(-1), and 3.5 to 6.7 mgL(-1)
Evaluation of QuEChERS sample preparation and liquid chromatography-triple-quadrupole mass spectrometry method for the determination of 109 pesticide residues in tomatoes.
Golge O and Kabak B
Food Chemistry, 176(3), 319-332 (2015)
Young-Soo Keum et al.
Pest management science, 58(5), 496-502 (2002-05-10)
Diafenthiuron, 1-tert-butyl-3-(2,6-di-isopropyl-4-phenoxyphenyl)thiourea, is an effective insecticide and acaricide. Sunlight degradation of diafenthiuron in various aqueous solutions and pure hexane yielded two major identified products: 1-tert-butyl-3-(2,6-di-isopropyl-4-phenoxyphenyl)-carbodiimide (CGA-140,408) and 1-tert-butyl-3-(2,6-di-isopropyl-4-phenoxy-phenyl)urea (CGA-177,960). CGA-140,408 was further photo-transformed into CGA-177,960 by sunlight. Direct photolysis appeared

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