2-Bromophenyl 2,2,2-trifluoroacetate CAS 36613-46-4

Purity 97%+In StockPharmaceutical Standards
CAS No.36613-46-4
Molecular FormulaC8H4BrF3O2
Molecular Weight269.02 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Bromophenyl 2,2,2-trifluoroacetate CAS 36613-46-4 chemical structure

Description

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.

2-Bromophenyl 2,2,2-trifluoroacetate (CAS 36613-46-4) is a high-purity analytical reference standard with the molecular formula C8H4BrF3O2 and a molecular weight of 269.02 g/mol.

Based on its molecular formula C8H4BrF3O2, 2-Bromophenyl 2,2,2-trifluoroacetate contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 269.02 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.

Physical & Chemical Properties

Molecular FormulaC8H4BrF3O2
Molecular Weight269.02 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1967
Halogen ContentF/Br-containing

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