1-(3,4-Dichlorobenzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole CAS 1006482-53-6

Purity 97%+In StockPharmaceutical Standards
CAS No.1006482-53-6
Molecular FormulaC13H11Cl2N3S
Molecular Weight312.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3,4-Dichlorobenzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole CAS 1006482-53-6 chemical structure

Description

The occurrence of 1-(3,4-Dichlorobenzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(3,4-Dichlorobenzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole (CAS 1006482-53-6) is a high-purity analytical reference standard with the molecular formula C13H11Cl2N3S and a molecular weight of 312.22 g/mol.

Based on its molecular formula C13H11Cl2N3S, 1-(3,4-Dichlorobenzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 312.22 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

CATO manufactures 1-(3,4-Dichlorobenzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC13H11Cl2N3S
Molecular Weight312.22 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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