1-[4-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-pyrimidin-2-ylsulfanyl]-propan-2-one CAS 1311279-24-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1311279-24-9
Molecular FormulaC13H9ClF3N3OS
Molecular Weight347.74 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-[4-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-pyrimidin-2-ylsulfanyl]-propan-2-one CAS 1311279-24-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 347.74 g/mol gives 1-[4-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-pyrimidin-2-ylsulfanyl]-propan-2-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1-[4-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-pyrimidin-2-ylsulfanyl]-propan-2-one (CAS 1311279-24-9) is a high-purity analytical reference standard with the molecular formula C13H9ClF3N3OS and a molecular weight of 347.74 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 1-[4-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-pyrimidin-2-ylsulfanyl]-propan-2-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 347.74 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC13H9ClF3N3OS
Molecular Weight347.74 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentF/Cl-containing
Nitrogen Atoms3
Sulfur Atoms1

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