5-Chloro-2-(4-(heptyloxy)phenyl)-2H-isoindole CAS 189884-41-1

Purity 97%+In StockPharmaceutical Standards
CAS No.189884-41-1
Molecular FormulaC21H24ClNO
Molecular Weight341.87 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Chloro-2-(4-(heptyloxy)phenyl)-2H-isoindole CAS 189884-41-1 chemical structure

Description

The occurrence of 5-Chloro-2-(4-(heptyloxy)phenyl)-2H-isoindole is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5-Chloro-2-(4-(heptyloxy)phenyl)-2H-isoindole (CAS 189884-41-1), molecular formula C21H24ClNO and molecular weight 341.87 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 5-Chloro-2-(4-(heptyloxy)phenyl)-2H-isoindole (C21H24ClNO) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 341.87 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.

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 FormulaC21H24ClNO
Molecular Weight341.87 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2011
Halogen ContentCl-containing
Nitrogen Atoms1

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