5-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-(3-(trifluoromethyl)phenyl)-1H-tetrazole CAS 955976-84-8

Purity 97%+In StockPharmaceutical Standards
CAS No.955976-84-8
Molecular FormulaC13H8F6N6
Molecular Weight362.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-(3-(trifluoromethyl)phenyl)-1H-tetrazole CAS 955976-84-8 chemical structure

Description

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.

5-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-(3-(trifluoromethyl)phenyl)-1H-tetrazole (CAS 955976-84-8) is a high-purity analytical reference standard with the molecular formula C13H8F6N6 and a molecular weight of 362.23 g/mol.

Based on its molecular formula C13H8F6N6, 5-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-(3-(trifluoromethyl)phenyl)-1H-tetrazole 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 362.23 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

As a certified reference material (CRM), 5-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-(3-(trifluoromethyl)phenyl)-1H-tetrazole 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 FormulaC13H8F6N6
Molecular Weight362.23 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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms6

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