Ethyl 3-Bromo-3,3-difluoropropanoate CAS 105836-29-1

Purity 97%+In StockPharmaceutical Standards
CAS No.105836-29-1
Molecular FormulaC5H7BrF2O2
Molecular Weight217.01 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 3-Bromo-3,3-difluoropropanoate CAS 105836-29-1 chemical structure

Description

The occurrence of Ethyl 3-Bromo-3,3-difluoropropanoate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Ethyl 3-Bromo-3,3-difluoropropanoate (CAS 105836-29-1), molecular formula C5H7BrF2O2 and molecular weight 217.01 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Ethyl 3-Bromo-3,3-difluoropropanoate (C5H7BrF2O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 1.0, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 217.01 g/mol, it falls into the medium-molecular-weight range. 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 FormulaC5H7BrF2O2
Molecular Weight217.01 g/mol
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityContains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)1.0
CAS Registry Year (est.)1987
Halogen ContentF/Br-containing

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