6-Bromo-2-fluoro-3-iodobenzoic acid CAS 217816-53-0
| CAS No. | 217816-53-0 |
| Molecular Formula | C7H3BrFIO2 |
| Molecular Weight | 344.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 6-Bromo-2-fluoro-3-iodobenzoic acid is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine/iodine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 6-Bromo-2-fluoro-3-iodobenzoic acid (CAS 217816-53-0), a certified reference material (molecular formula C7H3BrFIO2, MW 344.90 g/mol) for analytical method development and quality control.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine/iodine substitution, an aromatic ring system, 6-Bromo-2-fluoro-3-iodobenzoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 344.90 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 Formula | C7H3BrFIO2 |
| Molecular Weight | 344.90 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2019 |
| Halogen Content | F/Br/I-containing |
Related Bromo Standards
- 2-Bromo-6-fluoro-4-iodobenzoic acid (CAS 1260382-05-5)
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- 3-Bromo-4-fluoro-5-iodobenzoic acid (CAS 1628539-97-8)
Recommended Standards
- 4-((4-Chlorobenzyl)thio)-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide (CAS 478067-54-8)
- 6-Bromo-3-fluoro-2-iodobenzoic acid (CAS 2091680-04-3)
- 3-Bromo-5-fluoro-2-iodobenzoic acid (CAS 2092613-57-3)
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