1-(4-(Trifluoromethyl)pyrimidin-2-yl)-1h-1,2,4-triazole-3-carbonitrile CAS 1197633-26-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1197633-26-3
Molecular FormulaC8H3F3N6
Molecular Weight240.14 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(4-(Trifluoromethyl)pyrimidin-2-yl)-1h-1,2,4-triazole-3-carbonitrile CAS 1197633-26-3 chemical structure

Description

The occurrence of 1-(4-(Trifluoromethyl)pyrimidin-2-yl)-1h-1,2,4-triazole-3-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 1-(4-(Trifluoromethyl)pyrimidin-2-yl)-1h-1,2,4-triazole-3-carbonitrile (CAS 1197633-26-3), a certified reference material (molecular formula C8H3F3N6, MW 240.14 g/mol) for analytical method development and quality control.

1-(4-(Trifluoromethyl)pyrimidin-2-yl)-1h-1,2,4-triazole-3-carbonitrile (C8H3F3N6) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 FormulaC8H3F3N6
Molecular Weight240.14 g/mol
AppearancePale yellow to 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentF-containing
Nitrogen Atoms6

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