1,4-Bis(trifluoromethyl)-5H-pyridazino[4,5-b]indole CAS 111888-15-4

Purity 97%+In StockPharmaceutical Standards
CAS No.111888-15-4
Molecular FormulaC12H5F6N3
Molecular Weight305.18 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1,4-Bis(trifluoromethyl)-5H-pyridazino[4,5-b]indole CAS 111888-15-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 305.18 g/mol gives 1,4-Bis(trifluoromethyl)-5H-pyridazino[4,5-b]indole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 1,4-Bis(trifluoromethyl)-5H-pyridazino[4,5-b]indole (CAS 111888-15-4), a certified reference material (molecular formula C12H5F6N3, MW 305.18 g/mol) for analytical method development and quality control.

The molecular framework of 1,4-Bis(trifluoromethyl)-5H-pyridazino[4,5-b]indole (C12H5F6N3) 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 FormulaC12H5F6N3
Molecular Weight305.18 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentF-containing
Nitrogen Atoms3

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