2,2,2-Trichloro-N-[4-(2-phenylethynyl)phenyl]acetamide CAS 439097-38-8

Purity 97%+In StockPharmaceutical Standards
CAS No.439097-38-8
Molecular FormulaC16H10Cl3NO
Molecular Weight338.62 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2,2,2-Trichloro-N-[4-(2-phenylethynyl)phenyl]acetamide CAS 439097-38-8 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 2,2,2-Trichloro-N-[4-(2-phenylethynyl)phenyl]acetamide.

CATO supplies 2,2,2-Trichloro-N-[4-(2-phenylethynyl)phenyl]acetamide (CAS 439097-38-8), a certified reference material (molecular formula C16H10Cl3NO, MW 338.62 g/mol) for analytical method development and quality control.

Structurally, 2,2,2-Trichloro-N-[4-(2-phenylethynyl)phenyl]acetamide (C16H10Cl3NO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 338.62 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 FormulaC16H10Cl3NO
Molecular Weight338.62 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms1

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