3,4-Difluoro-5-(trifluoromethyl)phenacyl bromide CAS 886762-03-4

Purity 97%+In StockPharmaceutical Standards
CAS No.886762-03-4
Molecular FormulaC9H4BrF5O
Molecular Weight303.02 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3,4-Difluoro-5-(trifluoromethyl)phenacyl bromide CAS 886762-03-4 chemical structure

Description

The occurrence of 3,4-Difluoro-5-(trifluoromethyl)phenacyl bromide is closely related to a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3,4-Difluoro-5-(trifluoromethyl)phenacyl bromide (CAS 886762-03-4) is a high-purity analytical reference standard with the molecular formula C9H4BrF5O and a molecular weight of 303.02 g/mol.

Structurally, 3,4-Difluoro-5-(trifluoromethyl)phenacyl bromide (C9H4BrF5O) contains a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 303.02 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC9H4BrF5O
Molecular Weight303.02 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Br-containing

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