2-Chloro-1-{2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1h-pyrrol-3-yl}ethan-1-one CAS 790681-71-9

Purity 97%+In StockPharmaceutical Standards
CAS No.790681-71-9
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Chloro-1-{2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1h-pyrrol-3-yl}ethan-1-one CAS 790681-71-9 chemical structure

Description

The molecular framework of 2-Chloro-1-{2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1h-pyrrol-3-yl}ethan-1-one (C15H13ClF3NO) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

2-Chloro-1-{2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1h-pyrrol-3-yl}ethan-1-one (CAS 790681-71-9) is a high-purity analytical reference standard with the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol.

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 FormulaC15H13ClF3NO
Molecular Weight315.72 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Halogen ContentF/Cl-containing
Nitrogen Atoms1

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