3-[3-(4-chloropyrimidin-5-yl)prop-2-ynyl]-1,1-dioxo-thiolan-3-ol CAS 2605842-76-8

Purity 97%+In StockPharmaceutical Standards
CAS No.2605842-76-8
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.73 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[3-(4-chloropyrimidin-5-yl)prop-2-ynyl]-1,1-dioxo-thiolan-3-ol CAS 2605842-76-8 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-[3-(4-chloropyrimidin-5-yl)prop-2-ynyl]-1,1-dioxo-thiolan-3-ol.

3-[3-(4-chloropyrimidin-5-yl)prop-2-ynyl]-1,1-dioxo-thiolan-3-ol (CAS 2605842-76-8), molecular formula C11H11ClN2O3S and molecular weight 286.73 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-[3-(4-chloropyrimidin-5-yl)prop-2-ynyl]-1,1-dioxo-thiolan-3-ol (C11H11ClN2O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 286.73 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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), 3-[3-(4-chloropyrimidin-5-yl)prop-2-ynyl]-1,1-dioxo-thiolan-3-ol 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 FormulaC11H11ClN2O3S
Molecular Weight286.73 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2001
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

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