4-Bromo-2-cyano-3-formylbenzoic acid CAS 1805591-63-2
| CAS No. | 1805591-63-2 |
| Molecular Formula | C9H4BrNO3 |
| Molecular Weight | 254.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Bromo-2-cyano-3-formylbenzoic acid (CAS 1805591-63-2), molecular formula C9H4BrNO3 and molecular weight 254.04 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H4BrNO3, 4-Bromo-2-cyano-3-formylbenzoic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 254.04 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
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.
As a certified reference material (CRM), 4-Bromo-2-cyano-3-formylbenzoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C9H4BrNO3 |
| Molecular Weight | 254.04 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 3-Bromo-2-cyano-5-formylbenzoic acid (CAS 1805591-53-0)
- 3-Bromo-5-cyano-4-formylbenzoic acid (CAS 1806062-24-7)
- 3-Bromo-2-cyano-6-formylbenzoic acid (CAS 1805584-63-7)
- 4-Bromo-2-cyano-5-formylbenzoic acid (CAS 1806062-28-1)
- 4-Fluoro-2-(trifluoromethyl)benzyl Alcohol (CAS 220227-29-2)
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- 4-Amino-1-(2,6-difluorophenyl)pyrrolidin-2-one (CAS 1155574-01-8)
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- methyl 7-bromo-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylate (CAS 2092688-37-2)
- Semaglutide impurity 22(OtBu-Ste-γGlu(OtBu)-AEEA-AEEA-OH) (CAS 1118767-16-0)
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