1-methyl-3-(trifluoromethyl)-1h-pyraZole-5-carbonitrile CAS 1316223-15-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1316223-15-0
Molecular FormulaC6H4F3N3
Molecular Weight175.11 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-methyl-3-(trifluoromethyl)-1h-pyraZole-5-carbonitrile CAS 1316223-15-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 175.11 g/mol gives 1-methyl-3-(trifluoromethyl)-1h-pyraZole-5-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1-methyl-3-(trifluoromethyl)-1h-pyraZole-5-carbonitrile (CAS 1316223-15-0), molecular formula C6H4F3N3 and molecular weight 175.11 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 1-methyl-3-(trifluoromethyl)-1h-pyraZole-5-carbonitrile (C6H4F3N3) is characterized by a nitrile group, fluorine substitution, an aromatic ring system. 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC6H4F3N3
Molecular Weight175.11 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)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentF-containing
Nitrogen Atoms3

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