2-(4-Bromophenyl)-5,8-dioxaspiro-[3.4]octane-2-carboxylic acid CAS 1199586-87-2
| CAS No. | 1199586-87-2 |
| Molecular Formula | C13H13BrO4 |
| Molecular Weight | 313.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-(4-Bromophenyl)-5,8-dioxaspiro-[3.4]octane-2-carboxylic acid (CAS 1199586-87-2) is a high-purity analytical reference standard with the molecular formula C13H13BrO4 and a molecular weight of 313.14 g/mol.
The molecular framework of 2-(4-Bromophenyl)-5,8-dioxaspiro-[3.4]octane-2-carboxylic acid (C13H13BrO4) 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.
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 | C13H13BrO4 |
| Molecular Weight | 313.14 g/mol |
| Appearance | Off-white to pale 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Br-containing |
Related Bromophenyl Standards
- Ethyl 1-(4-bromophenyl)-5-fluoro-1H-pyrazole-4-carboxylate (CAS 1269293-78-8)
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- 4-(4-Bromophenyl)-2-(methylsulfonyl)pyrimidine (CAS 1027064-22-7)
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- 6-((4-Bromophenyl)sulfonyl)pyridin-3-amine (CAS 1221791-76-9)
- (5E)-5-{[(4-bromophenyl)amino]methylidene}-3-methyl-1,3-thiazolidine-2,4-dione (CAS 478081-27-5)
- 1-(2-Bromophenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)ethan-1-one (CAS 380443-93-6)
Recommended Standards
- 4-Ethyl-3-(3-iodophenyl)-1h-pyrazol-5-amine (CAS 1187561-57-4)
- Ethyl (E)-(2-cyano-3-(3,4-dichlorophenyl)acryloyl)carbamate (CAS 1215849-96-9)
- 4-Ethyl-3-(2-iodophenyl)-1h-pyrazol-5-amine (CAS 1187561-46-1)
- Kojic Impurity 5 (CAS 1246060-75-2)
- 1-(3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)-3,3-dimethylazetidin-2-one (CAS 339100-38-8)
- 4-(Mercaptomethyl)phenol (CAS 89639-61-2)
- 4,6-Dimethoxypyrimidin-2-yl methanesulfonate (CAS 120259-57-6)
- 6-(3-Formylphenyl)nicotinic acid (CAS 566198-35-4)
- 2-Fluoro-6-(trifluoromethyl)benzyl Alcohol (CAS 152211-15-9)
- 4-Cyclopropoxy-5-isopropyl-N-methylpyridin-2-amine (CAS 1243403-18-0)
- Diquinoxalino[2,3-a:2',3'-c]phenazine-2,3,8,9,14,15-hexacarbonitrile (CAS 887401-68-5)
- (1,3-Benzodioxol-5-ylmethyl)(2-methylbenzyl)amine hydrobromide (CAS 1609395-71-2)
- 1,2,3,4-tetrahydronaphthalene-1,7-diamine dihydrochloride (CAS 58490-90-7)
- Semaglutide impurity 88 (CAS CATO-C4X-222688)
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