2-[(2,5-dichlorophenyl)sulfanyl]-2-phenylacetic acid CAS 54842-65-8

Purity 97%+In StockPharmaceutical Standards
CAS No.54842-65-8
Molecular FormulaC14H10Cl2O2S
Molecular Weight313.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-[(2,5-dichlorophenyl)sulfanyl]-2-phenylacetic acid CAS 54842-65-8 chemical structure

Description

The occurrence of 2-[(2,5-dichlorophenyl)sulfanyl]-2-phenylacetic acid is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, a polycyclic aromatic system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-[(2,5-dichlorophenyl)sulfanyl]-2-phenylacetic acid (CAS 54842-65-8), molecular formula C14H10Cl2O2S and molecular weight 313.20 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-[(2,5-dichlorophenyl)sulfanyl]-2-phenylacetic acid (C14H10Cl2O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, a polycyclic aromatic system. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 313.20 g/mol, it falls into the moderately-high-molecular-weight range. 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 FormulaC14H10Cl2O2S
Molecular Weight313.20 g/mol
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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1972
Halogen ContentCl-containing
Sulfur Atoms1

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