2-Acetyl-3-chloroisoquinolin-1(2H)-one CAS 110513-68-3

Purity 97%+In StockPharmaceutical Standards
CAS No.110513-68-3
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Acetyl-3-chloroisoquinolin-1(2H)-one CAS 110513-68-3 chemical structure

Description

The occurrence of 2-Acetyl-3-chloroisoquinolin-1(2H)-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 2-Acetyl-3-chloroisoquinolin-1(2H)-one (CAS 110513-68-3), a certified reference material (molecular formula C11H8ClNO2, MW 221.64 g/mol) for analytical method development and quality control.

The molecular framework of 2-Acetyl-3-chloroisoquinolin-1(2H)-one (C11H8ClNO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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), 2-Acetyl-3-chloroisoquinolin-1(2H)-one 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 FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentCl-containing
Nitrogen Atoms1

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