2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one CAS 1823183-12-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1823183-12-5
Molecular FormulaC13H9ClF3N3O
Molecular Weight315.68 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one CAS 1823183-12-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 315.68 g/mol gives 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one (CAS 1823183-12-5), molecular formula C13H9ClF3N3O and molecular weight 315.68 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one (C13H9ClF3N3O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. 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 315.68 g/mol, it falls into the moderately-high-molecular-weight range. 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 FormulaC13H9ClF3N3O
Molecular Weight315.68 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
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.)1995
Halogen ContentF/Cl-containing
Nitrogen Atoms3

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