4-(Difluoromethyl)isoquinoline CAS 862075-83-0

Purity 97%+In StockPharmaceutical Standards
CAS No.862075-83-0
Molecular FormulaC10H7F2N
Molecular Weight179.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(Difluoromethyl)isoquinoline CAS 862075-83-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 179.17 g/mol gives 4-(Difluoromethyl)isoquinoline distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-(Difluoromethyl)isoquinoline (CAS 862075-83-0), molecular formula C10H7F2N and molecular weight 179.17 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 4-(Difluoromethyl)isoquinoline (C10H7F2N) 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC10H7F2N
Molecular Weight179.17 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms1

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