3-((2,3-Dibromo-5-ethoxy-6-hydroxybenzylidene)amino)benzoic acid CAS 321963-76-2
| CAS No. | 321963-76-2 |
| Molecular Formula | C16H13Br2NO4 |
| Molecular Weight | 443.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-((2,3-Dibromo-5-ethoxy-6-hydroxybenzylidene)amino)benzoic acid.
3-((2,3-Dibromo-5-ethoxy-6-hydroxybenzylidene)amino)benzoic acid (CAS 321963-76-2), molecular formula C16H13Br2NO4 and molecular weight 443.09 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-((2,3-Dibromo-5-ethoxy-6-hydroxybenzylidene)amino)benzoic acid (C16H13Br2NO4) is characterized by a flavonoid core, 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 Formula | C16H13Br2NO4 |
| Molecular Weight | 443.09 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Dibromo Standards
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Recommended Standards
- 2-(5-Bromo-4-formyl-2-methoxyphenoxy)-N-(4-bromophenyl)acetamide (CAS 832674-16-5)
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- 1-(3,4-Dichlorobenzyl)-3-((2,6-dichlorobenzyl)oxy)-2-methylpyridin-4(1H)-one (CAS 338965-46-1)
- (4-bromo-5-iodo-2-naphthyl) 2,2-dimethylpropanoate (CAS 2757096-97-0)
- Benzyl ((4-cyanobicyclo[2.2.2]Octan-1-yl)methyl)carbamate (CAS 2187434-96-2)
- (4-Fluorophenyl)(phenyl)methanamine (CAS 55095-26-6)
- Methyl (E)-2-fluoro-3-(3-oxoprop-1-en-1-yl)-6-(trifluoromethyl)benzoate (CAS CATO-CIM-105053)
- 2-Methylthio-6-phenyl-4H-thiopyran-4-one (CAS 113544-16-4)
- (3-Methyl-benzyl)-(3-pentafluoroethylsulfanylpropyl)-amine (CAS 1208079-74-6)
- 2-[[2-(2-Methylphenyl)acetyl]amino]acetic acid (CAS 111325-40-7)
- 1-(2-Aminoethyl)-3,4-dihydroquinolin-2(1H)-one (CAS 113582-21-1)
- 2-Methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS 2226147-12-0)
- 4-Amino-1-cyclopentyl-2-methylbutan-2-ol (CAS 1488825-19-9)
- Pancreatic Polypeptide (bovine) (CAS 179986-89-1)
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