2-(Trifluoromethyl)pyrimidine-4,6(1H,5H)-dione CAS 63447-36-9

Purity 97%+In StockPharmaceutical Standards
CAS No.63447-36-9
Molecular FormulaC5H3F3N2O2
Molecular Weight180.08 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(Trifluoromethyl)pyrimidine-4,6(1H,5H)-dione CAS 63447-36-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 180.08 g/mol gives 2-(Trifluoromethyl)pyrimidine-4,6(1H,5H)-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-(Trifluoromethyl)pyrimidine-4,6(1H,5H)-dione (CAS 63447-36-9) is a high-purity analytical reference standard with the molecular formula C5H3F3N2O2 and a molecular weight of 180.08 g/mol.

Based on its molecular formula C5H3F3N2O2, 2-(Trifluoromethyl)pyrimidine-4,6(1H,5H)-dione contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 180.08 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC5H3F3N2O2
Molecular Weight180.08 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
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)4.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1975
Halogen ContentF-containing
Nitrogen Atoms2

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