4-(Allyloxy)-5-bromo-3-methylbenzofuran-2-carboxylic acid CAS 1403566-08-4
| CAS No. | 1403566-08-4 |
| Molecular Formula | C13H11BrO4 |
| Molecular Weight | 311.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(Allyloxy)-5-bromo-3-methylbenzofuran-2-carboxylic acid (CAS 1403566-08-4), molecular formula C13H11BrO4 and molecular weight 311.13 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-(Allyloxy)-5-bromo-3-methylbenzofuran-2-carboxylic acid (C13H11BrO4) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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 | C13H11BrO4 |
| Molecular Weight | 311.13 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, 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.) | 1991 |
| Halogen Content | Br-containing |
Related Allyloxy Standards
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Recommended Standards
- 4-Bromo-1,3-dimethoxy-2-naphthoic acid (CAS 1399655-14-1)
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- 2-Cyclopropyl-3-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CAS 1355071-80-5)
- Ethyl 5-amino-4-bromo-1-(pyridin-3-yl)-1H-pyrazole-3-carboxylate (CAS 1427013-65-7)
- 2-Chloro-3-(difluoromethyl)-4-methoxy-5-methylpyridine (CAS 1804495-09-7)
- 1-Phenylazetidin-2-one (CAS 5099-95-6)
- 4-(Isopropylamino)-3-nitrobenzonitrile (CAS 355022-17-2)
- 4-(1,1-Dioxidothiomorpholino)butanoic acid (CAS 933738-42-2)
- 6-(2-Chlorophenyl)pyrazin-2-amine (CAS 1224741-03-0)
- 2,4-Dichloro-7-methylpyrrolo[2,1-f][1,2,4]triazine (CAS 1613751-73-7)
- (1-(Pyrazin-2-yl)piperidin-3-yl)methanol (CAS 939986-03-5)
- 2-Ethoxy-4-fluorobenzotrifluoride (CAS 1233541-58-6)
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- D-Asp15-Tirzepatide (CAS CATO-CPTD788919)
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