4-Bromo-1-(2-chloro-6-fluorobenzyl)-3-isothiocyanato-1h-pyrazole CAS 1004194-69-7

Purity 97%+In StockPharmaceutical Standards
CAS No.1004194-69-7
Molecular FormulaC11H6BrClFN3S
Molecular Weight346.61 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Bromo-1-(2-chloro-6-fluorobenzyl)-3-isothiocyanato-1h-pyrazole CAS 1004194-69-7 chemical structure

Description

The occurrence of 4-Bromo-1-(2-chloro-6-fluorobenzyl)-3-isothiocyanato-1h-pyrazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 4-Bromo-1-(2-chloro-6-fluorobenzyl)-3-isothiocyanato-1h-pyrazole (CAS 1004194-69-7), a certified reference material (molecular formula C11H6BrClFN3S, MW 346.61 g/mol) for analytical method development and quality control.

Based on its molecular formula C11H6BrClFN3S, 4-Bromo-1-(2-chloro-6-fluorobenzyl)-3-isothiocyanato-1h-pyrazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 346.61 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 4-Bromo-1-(2-chloro-6-fluorobenzyl)-3-isothiocyanato-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 FormulaC11H6BrClFN3S
Molecular Weight346.61 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 ContentF/Cl/Br-containing
Nitrogen Atoms3
Sulfur Atoms1

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