4-(2,4-Dichlorophenoxy)-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine CAS 439110-61-9

Purity 97%+In StockPharmaceutical Standards
CAS No.439110-61-9
Molecular FormulaC12H7Cl2F3N2OS
Molecular Weight355.16 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(2,4-Dichlorophenoxy)-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine CAS 439110-61-9 chemical structure

Description

4-(2,4-Dichlorophenoxy)-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine (CAS 439110-61-9) is a high-purity analytical reference standard with the molecular formula C12H7Cl2F3N2OS and a molecular weight of 355.16 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 4-(2,4-Dichlorophenoxy)-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 355.16 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC12H7Cl2F3N2OS
Molecular Weight355.16 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
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.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms2
Sulfur Atoms1

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