(4-Amino-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)(phenyl)methanone CAS 1338218-76-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1338218-76-0
Molecular FormulaC12H7F3N6O
Molecular Weight308.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(4-Amino-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)(phenyl)methanone CAS 1338218-76-0 chemical structure

Description

The molecular framework of (4-Amino-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)(phenyl)methanone (C12H7F3N6O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

(4-Amino-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)(phenyl)methanone (CAS 1338218-76-0), molecular formula C12H7F3N6O and molecular weight 308.22 g/mol, is a CATO reference standard with documented purity and traceability.

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 FormulaC12H7F3N6O
Molecular Weight308.22 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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Halogen ContentF-containing
Nitrogen Atoms6

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