1-(3-Fluorophenyl)-3-oxocyclohexanecarbonitrile CAS 1956331-06-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1956331-06-8
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3-Fluorophenyl)-3-oxocyclohexanecarbonitrile CAS 1956331-06-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 217.24 g/mol gives 1-(3-Fluorophenyl)-3-oxocyclohexanecarbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 1-(3-Fluorophenyl)-3-oxocyclohexanecarbonitrile (CAS 1956331-06-8), a certified reference material (molecular formula C13H12FNO, MW 217.24 g/mol) for analytical method development and quality control.

Based on its molecular formula C13H12FNO, 1-(3-Fluorophenyl)-3-oxocyclohexanecarbonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 217.24 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC13H12FNO
Molecular Weight217.24 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1996
Halogen ContentF-containing
Nitrogen Atoms1

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