5-Chlorospiro[isobenzofuran-1(3H),4’’-piperidin]-3-one CAS 180160-47-8

Purity 97%+In StockPharmaceutical Standards
CAS No.180160-47-8
Molecular FormulaC12H12ClNO2
Molecular Weight237.68 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Chlorospiro[isobenzofuran-1(3H),4’’-piperidin]-3-one CAS 180160-47-8 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 5-Chlorospiro[isobenzofuran-1(3H),4’’-piperidin]-3-one.

5-Chlorospiro[isobenzofuran-1(3H),4’’-piperidin]-3-one (CAS 180160-47-8) is a high-purity analytical reference standard with the molecular formula C12H12ClNO2 and a molecular weight of 237.68 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 5-Chlorospiro[isobenzofuran-1(3H),4’’-piperidin]-3-one is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 237.68 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC12H12ClNO2
Molecular Weight237.68 g/mol
AppearanceOff-white to pale 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2008
Halogen ContentCl-containing
Nitrogen Atoms1

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