3-Bromo-2-fluoro-6-iodobenzoic acid CAS 217816-54-1

Purity 97%+In StockPharmaceutical Standards
CAS No.217816-54-1
Molecular FormulaC7H3BrFIO2
Molecular Weight344.90 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Bromo-2-fluoro-6-iodobenzoic acid CAS 217816-54-1 chemical structure

Description

Structurally, 3-Bromo-2-fluoro-6-iodobenzoic acid (C7H3BrFIO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine/iodine 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 344.90 g/mol, it falls into the moderately-high-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).

3-Bromo-2-fluoro-6-iodobenzoic acid (CAS 217816-54-1), molecular formula C7H3BrFIO2 and molecular weight 344.90 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 FormulaC7H3BrFIO2
Molecular Weight344.90 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; 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.)2019
Halogen ContentF/Br/I-containing

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