(3aS,7aS)-1,3-Dimesityl-3a,4,5,6,7,7a-hexahydro-3H-benzo[d]imidazol-1-ium tetrafluoroborate CAS 372517-05-0

Purity 97%+In StockPharmaceutical Standards
CAS No.372517-05-0
Molecular FormulaC25H33N2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(3aS,7aS)-1,3-Dimesityl-3a,4,5,6,7,7a-hexahydro-3H-benzo[d]imidazol-1-ium tetrafluoroborate CAS 372517-05-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 448.35 g/mol gives (3aS,7aS)-1,3-Dimesityl-3a,4,5,6,7,7a-hexahydro-3H-benzo[d]imidazol-1-ium tetrafluoroborate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

(3aS,7aS)-1,3-Dimesityl-3a,4,5,6,7,7a-hexahydro-3H-benzo[d]imidazol-1-ium tetrafluoroborate (CAS 372517-05-0), molecular formula C25H33N2BF4 and molecular weight 448.35 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of (3aS,7aS)-1,3-Dimesityl-3a,4,5,6,7,7a-hexahydro-3H-benzo[d]imidazol-1-ium tetrafluoroborate (C25H33N2BF4) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.

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 FormulaC25H33N2 BF4
Molecular Weight448.35 g/mol
AppearancePale yellow to 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)8.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms2

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