2-Hydroxy-4,4,4-trifluorobutyronitrile CAS 912578-73-5

Purity 97%+In StockPharmaceutical Standards
CAS No.912578-73-5
Molecular FormulaC4H4F3NO
Molecular Weight139.08 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Hydroxy-4,4,4-trifluorobutyronitrile CAS 912578-73-5 chemical structure

Description

The occurrence of 2-Hydroxy-4,4,4-trifluorobutyronitrile is closely related to an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-Hydroxy-4,4,4-trifluorobutyronitrile (CAS 912578-73-5) is a high-purity analytical reference standard with the molecular formula C4H4F3NO and a molecular weight of 139.08 g/mol.

The molecular framework of 2-Hydroxy-4,4,4-trifluorobutyronitrile (C4H4F3NO) is characterized by an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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 FormulaC4H4F3NO
Molecular Weight139.08 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms1

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