2-(6-Oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)acetonitrile CAS 1823188-13-1

Purity 97%+In StockPharmaceutical Standards
CAS No.1823188-13-1
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(6-Oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)acetonitrile CAS 1823188-13-1 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 2-(6-Oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)acetonitrile.

2-(6-Oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)acetonitrile (CAS 1823188-13-1), molecular formula C7H4F3N3O and molecular weight 203.12 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C7H4F3N3O, 2-(6-Oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)acetonitrile contains an amide group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 203.12 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC7H4F3N3O
Molecular Weight203.12 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 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
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1995
Halogen ContentF-containing
Nitrogen Atoms3

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