6-Bromo-2-((tert-butoxycarbonyl)amino)-3-fluorobenzoic acid CAS 2138575-47-8
| CAS No. | 2138575-47-8 |
| Molecular Formula | C12H13BrFNO4 |
| Molecular Weight | 334.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
6-Bromo-2-((tert-butoxycarbonyl)amino)-3-fluorobenzoic acid (CAS 2138575-47-8) is a high-purity analytical reference standard with the molecular formula C12H13BrFNO4 and a molecular weight of 334.14 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, 6-Bromo-2-((tert-butoxycarbonyl)amino)-3-fluorobenzoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 334.14 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H13BrFNO4 |
| Molecular Weight | 334.14 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 3-Iodo-4-(pentyloxy)benzoic acid (CAS 1131614-41-9)
- 2-[(2,2-difluoroethyl)amino]ethan-1-ol (CAS 505-06-6)
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- 10-Methylundecanal (CAS 68820-37-1)
- 3-(4-Methylcyclohexyl)-2-oxopropanoic acid (CAS 1498043-29-0)
- 2-(3-Amino-1h-pyrazol-1-yl)-N-(3-methoxypropyl)acetamide (CAS 1247043-22-6)
- 1-(5-(Bromomethyl)benzo[d]oxazol-2-yl)ethanone (CAS 1806492-30-7)
- 6-Bromoisoquinoline-1-carbaldehyde (CAS 1782021-44-6)
- 3-Cyclopropoxy-5-isopropoxy-N,N-dimethylpyridin-2-amine (CAS 1243372-27-1)
- Diphenyl(p-tolyl)sulfonium trifluoromethanesulfonate (CAS 81416-37-7)
- Semaglutide Impurity 177 (CAS CATO-C4X-2226177)
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