N-[4-(2,4-Dichlorophenoxy)butyl]-4-(3-phenylpropoxy)aniline CAS 1040686-69-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1040686-69-8
Molecular FormulaC25H27Cl2NO2
Molecular Weight444.39 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-[4-(2,4-Dichlorophenoxy)butyl]-4-(3-phenylpropoxy)aniline CAS 1040686-69-8 chemical structure

Description

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.

N-[4-(2,4-Dichlorophenoxy)butyl]-4-(3-phenylpropoxy)aniline (CAS 1040686-69-8), molecular formula C25H27Cl2NO2 and molecular weight 444.39 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, N-[4-(2,4-Dichlorophenoxy)butyl]-4-(3-phenylpropoxy)aniline (C25H27Cl2NO2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine 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 444.39 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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.

Physical & Chemical Properties

Molecular FormulaC25H27Cl2NO2
Molecular Weight444.39 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 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentCl-containing
Nitrogen Atoms1

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