3,5-Dibromo-1H-indole-2-carboxylic acid CAS 98591-49-2
| CAS No. | 98591-49-2 |
| Molecular Formula | C9H5Br2NO2 |
| Molecular Weight | 318.95 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 318.95 g/mol gives 3,5-Dibromo-1H-indole-2-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3,5-Dibromo-1H-indole-2-carboxylic acid (CAS 98591-49-2), a certified reference material (molecular formula C9H5Br2NO2, MW 318.95 g/mol) for analytical method development and quality control.
The molecular framework of 3,5-Dibromo-1H-indole-2-carboxylic acid (C9H5Br2NO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C9H5Br2NO2 |
| Molecular Weight | 318.95 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Dibromo Standards
- 2-(2,6-Dibromo-4-formylphenoxy)acetonitrile (CAS 827591-22-0)
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- 3,6-Dibromo-4-hydroxyquinolin-2(1H)-one (CAS 90532-79-9)
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- 5,6-Dibromo-1H-indole-3-carboxylic acid (CAS 857809-64-4)
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Recommended Standards
- 2,4-Difluoro-6-bromophenylboronic acid pinacol ester (CAS 2121513-38-8)
- 3-Bromo-2,6-difluorophenylboronic acid pinacol ester (CAS 2121513-51-5)
- 2-(4-Bromo-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2264017-64-1)
- 4-Bromo-2,3-difluorophenylboronic acid pinacol ester (CAS 2121515-07-7)
- 1-(1-Benzothienphen-5-yl)-1H-pyrrole (CAS 1481442-39-0)
- Sulfaethylthiadiazole (CAS 94-19-9)
- 4,5-Dimethyl-2-ethoxyphenylboronic acid, pinacol ester (CAS 2121514-05-2)
- Methylprednisolone Impurity 52 (CAS CATO-C4X-191952)
- Dodecyl isothiocyanate (CAS 1072-32-8)
- 4-Chlorobenzo[1,2-c:3,4-c']bis([1,2,5]oxadiazole) (CAS 749923-28-2)
- tert-Butyl (((3S,4S)-5-oxo-3,4-bis(((trimethylsilyl)oxy)methyl)cyclopent-1-en-1-yl)methyl)carbamate (CAS 1326217-16-6)
- 2-(Difluoromethyl)-4-iodo-6-methoxypyridine-3-carboxamide (CAS 1805091-53-5)
- 2,3-Dimethyl-1-((2,2,2-trichloroethoxy)sulfonyl)-1H-imidazol-3-ium trifluoromethanesulfonate (CAS 1185733-70-3)
- C-telopeptide (CAS 162929-64-8)
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