(5R)-5,6-Dihydro-5-(1-methylethyl)-2-(2,3,4,5,6-pentafluorophenyl)-8H-1,2,4-triazolo[3,4-c][1,4]oxaziniumTetrafluoroborate CAS 2254501-59-0

Purity 97%+In StockPharmaceutical Standards
CAS No.2254501-59-0
Molecular FormulaC14H13F5N3O
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(5R)-5,6-Dihydro-5-(1-methylethyl)-2-(2,3,4,5,6-pentafluorophenyl)-8H-1,2,4-triazolo[3,4-c][1,4]oxaziniumTetrafluoroborate CAS 2254501-59-0 chemical structure

Description

(5R)-5,6-Dihydro-5-(1-methylethyl)-2-(2,3,4,5,6-pentafluorophenyl)-8H-1,2,4-triazolo[3,4-c][1,4]oxaziniumTetrafluoroborate (CAS 2254501-59-0) is a high-purity analytical reference standard with the molecular formula C14H13F5N3OBF4 and a molecular weight of 421.07 g/mol.

Structurally, (5R)-5,6-Dihydro-5-(1-methylethyl)-2-(2,3,4,5,6-pentafluorophenyl)-8H-1,2,4-triazolo[3,4-c][1,4]oxaziniumTetrafluoroborate (C14H13F5N3OBF4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.5, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 421.07 g/mol, it falls into the moderately-high-molecular-weight range. 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.

As a certified reference material (CRM), (5R)-5,6-Dihydro-5-(1-methylethyl)-2-(2,3,4,5,6-pentafluorophenyl)-8H-1,2,4-triazolo[3,4-c][1,4]oxaziniumTetrafluoroborate 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 FormulaC14H13F5N3O BF4
Molecular Weight421.07 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, 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)5.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1998
Halogen ContentF-containing
Nitrogen Atoms3

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