6-bromo-4-fluoro-3H-1,3-benzoxazol-2-one CAS 1780002-65-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1780002-65-4
Molecular FormulaC7H9BrFNO2
Molecular Weight238.05 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-bromo-4-fluoro-3H-1,3-benzoxazol-2-one CAS 1780002-65-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 238.05 g/mol gives 6-bromo-4-fluoro-3H-1,3-benzoxazol-2-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

6-bromo-4-fluoro-3H-1,3-benzoxazol-2-one (CAS 1780002-65-4), molecular formula C7H9BrFNO2 and molecular weight 238.05 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 6-bromo-4-fluoro-3H-1,3-benzoxazol-2-one (C7H9BrFNO2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 238.05 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC7H9BrFNO2
Molecular Weight238.05 g/mol
AppearanceWhite to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
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)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1994
Halogen ContentF/Br-containing
Nitrogen Atoms1

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