2-((3,4-Dichlorobenzyl)thio)-3-propyl-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 866143-22-8

Purity 97%+In StockPharmaceutical Standards
CAS No.866143-22-8
Molecular FormulaC15H13Cl2F3N2OS
Molecular Weight397.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((3,4-Dichlorobenzyl)thio)-3-propyl-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 866143-22-8 chemical structure

Description

2-((3,4-Dichlorobenzyl)thio)-3-propyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 866143-22-8), molecular formula C15H13Cl2F3N2OS and molecular weight 397.24 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-((3,4-Dichlorobenzyl)thio)-3-propyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (C15H13Cl2F3N2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 397.24 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.

As a certified reference material (CRM), 2-((3,4-Dichlorobenzyl)thio)-3-propyl-6-(trifluoromethyl)pyrimidin-4(3H)-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC15H13Cl2F3N2OS
Molecular Weight397.24 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.)1987
Halogen ContentF/Cl-containing
Nitrogen Atoms2
Sulfur Atoms1

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