N-(4-Chlorobenzylidene)-4-(3,4,5-tribromo-1H-pyrazol-1-yl)aniline CAS 219793-55-2

Purity 97%+In StockPharmaceutical Standards
CAS No.219793-55-2
Molecular FormulaC16H9Br3ClN3
Molecular Weight518.43 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-(4-Chlorobenzylidene)-4-(3,4,5-tribromo-1H-pyrazol-1-yl)aniline CAS 219793-55-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 518.43 g/mol gives N-(4-Chlorobenzylidene)-4-(3,4,5-tribromo-1H-pyrazol-1-yl)aniline distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

N-(4-Chlorobenzylidene)-4-(3,4,5-tribromo-1H-pyrazol-1-yl)aniline (CAS 219793-55-2), molecular formula C16H9Br3ClN3 and molecular weight 518.43 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, N-(4-Chlorobenzylidene)-4-(3,4,5-tribromo-1H-pyrazol-1-yl)aniline (C16H9Br3ClN3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 518.43 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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), N-(4-Chlorobenzylidene)-4-(3,4,5-tribromo-1H-pyrazol-1-yl)aniline 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 FormulaC16H9Br3ClN3
Molecular Weight518.43 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2019
Halogen ContentCl/Br-containing
Nitrogen Atoms3

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