3-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzonitrile CAS 209958-67-8

Purity 97%+In StockPharmaceutical Standards
CAS No.209958-67-8
Molecular FormulaC12H8F3N3
Molecular Weight251.21 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzonitrile CAS 209958-67-8 chemical structure

Description

The occurrence of 3-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzonitrile 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.

3-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzonitrile (CAS 209958-67-8), molecular formula C12H8F3N3 and molecular weight 251.21 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C12H8F3N3, 3-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 251.21 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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.

As a certified reference material (CRM), 3-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC12H8F3N3
Molecular Weight251.21 g/mol
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.)2016
Halogen ContentF-containing
Nitrogen Atoms3

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