rel-(5aR,​10bS)​-​5a,​10b-​Dihydro-​2-(​(2,​6-​dibromo-4-trifluoromethyl)phenyl)​-4H,​6H-​indeno[2,​1-​b]​[1,​2,​4]​triazolo[4,​3-​d]​[1,​4]​oxazinium (tetrafluoroborate) CAS 2815418-78-9

Purity 97%+In StockPharmaceutical Standards
CAS No.2815418-78-9
Molecular FormulaC19H13Br2F3N3O
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

rel-(5aR,​10bS)​-​5a,​10b-​Dihydro-​2-(​(2,​6-​dibromo-4-trifluoromethyl)phenyl)​-4H,​6H-​indeno[2,​1-​b]​[1,​2,​4]​triazolo[4,​3-​d]​[1,​4]​oxazinium (tetrafluoroborate) CAS 2815418-78-9 chemical structure

Description

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.

CATO supplies rel-(5aR,​10bS)​-​5a,​10b-​Dihydro-​2-(​(2,​6-​dibromo-4-trifluoromethyl)phenyl)​-4H,​6H-​indeno[2,​1-​b]​[1,​2,​4]​triazolo[4,​3-​d]​[1,​4]​oxazinium (tetrafluoroborate) (CAS 2815418-78-9), a certified reference material (molecular formula C19H13Br2F3N3OBF4, MW 602.94 g/mol) for analytical method development and quality control.

Based on its molecular formula C19H13Br2F3N3OBF4, rel-(5aR,​10bS)​-​5a,​10b-​Dihydro-​2-(​(2,​6-​dibromo-4-trifluoromethyl)phenyl)​-4H,​6H-​indeno[2,​1-​b]​[1,​2,​4]​triazolo[4,​3-​d]​[1,​4]​oxazinium (tetrafluoroborate) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 602.94 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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.

Physical & Chemical Properties

Molecular FormulaC19H13Br2F3N3O BF4
Molecular Weight602.94 g/mol
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)10.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2003
Halogen ContentF/Br-containing
Nitrogen Atoms3

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