32429

Prothioconazole-desthio

PESTANAL^®, analytical standard

• Synonym(s): α-(1-Chlorocyclopropyl)-α-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-1-ethanol
• Empirical Formula (Hill Notation): C₁₄H₁₅Cl₂N₃O
• CAS Number: 120983-64-4
• Molecular Weight: 312.19
• NACRES: NA.24
• UNSPSC Code: 41116107
• MDL number: MFCD29916113
• Beilstein/REAXYS Number: 13200866

Properties

• grade: analytical standard
• Quality Segment: 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: OC(Cc1ccccc1Cl)(Cn2cncn2)C3(Cl)CC3
• InChI: 1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2
• InChI key: HHUQPWODPBDTLI-UHFFFAOYSA-N

Description

General description

Prothioconazole-desthio is a major chiral metabolite of prothioconazole fungicide.

Application

Prothioconazole-desthio may be used as an analytical reference standard for the determination of the analyte in:

• Rapeseed oil samples by gas chromatography coupled to electron capture detection (GC-ECD).
• Food samples of animal origin by high performance liquid chromatography combined with electrospray ionization-tandem mass spectrometry (HPLC-ESI-MS/MS).
• Honeybees by dispersive solid-phase extraction (dSPE) combined with LC coupled to electron ionization (EI) MS/MS operating in multiple reaction monitoring (MRM) mode of detection.

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

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

Safety Information

• pictograms: GHS08,GHS09
• signalword: Warning
• hcodes: H361d,H410
• pcodes: P202 - P273 - P280 - P308 + P313 - P391 - P405
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 2
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable