4,4-Bis(trifluoromethyl)-5,5,6,6,7,7,7-heptafluorohept-2-enoic acid CAS 261503-43-9

Purity 97%+In StockPharmaceutical Standards
CAS No.261503-43-9
Molecular FormulaC9H3F13O2
Molecular Weight390.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4,4-Bis(trifluoromethyl)-5,5,6,6,7,7,7-heptafluorohept-2-enoic acid CAS 261503-43-9 chemical structure

Description

Based on its molecular formula C9H3F13O2, 4,4-Bis(trifluoromethyl)-5,5,6,6,7,7,7-heptafluorohept-2-enoic acid contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 390.10 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.

4,4-Bis(trifluoromethyl)-5,5,6,6,7,7,7-heptafluorohept-2-enoic acid (CAS 261503-43-9), molecular formula C9H3F13O2 and molecular weight 390.10 g/mol, is a CATO reference standard with documented purity and traceability.

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 FormulaC9H3F13O2
Molecular Weight390.10 g/mol
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityContains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)2025
Halogen ContentF-containing

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