1-(4-Chloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole CAS 1004193-65-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1004193-65-0
Molecular FormulaC13H12ClN3S
Molecular Weight277.77 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(4-Chloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole CAS 1004193-65-0 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-(4-Chloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole.

1-(4-Chloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole (CAS 1004193-65-0), molecular formula C13H12ClN3S and molecular weight 277.77 g/mol, is a CATO reference standard with documented purity and traceability.

1-(4-Chloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole (C13H12ClN3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

As a certified reference material (CRM), 1-(4-Chloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC13H12ClN3S
Molecular Weight277.77 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
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

Related Chloro Standards

Recommended Standards

Why CATO?