2-Chloro-3-{[3-(1H-imidazol-1-yl)propyl]amino}-1,4-dihydronaphthalene-1,4-dione CAS 255731-20-5

Purity 97%+In StockPharmaceutical Standards
CAS No.255731-20-5
Molecular FormulaC16H14ClN3O2
Molecular Weight315.75 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Chloro-3-{[3-(1H-imidazol-1-yl)propyl]amino}-1,4-dihydronaphthalene-1,4-dione CAS 255731-20-5 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 2-Chloro-3-{[3-(1H-imidazol-1-yl)propyl]amino}-1,4-dihydronaphthalene-1,4-dione.

CATO supplies 2-Chloro-3-{[3-(1H-imidazol-1-yl)propyl]amino}-1,4-dihydronaphthalene-1,4-dione (CAS 255731-20-5), a certified reference material (molecular formula C16H14ClN3O2, MW 315.75 g/mol) for analytical method development and quality control.

Based on its molecular formula C16H14ClN3O2, 2-Chloro-3-{[3-(1H-imidazol-1-yl)propyl]amino}-1,4-dihydronaphthalene-1,4-dione contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 315.75 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.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC16H14ClN3O2
Molecular Weight315.75 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms3

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