5-Bromo-6-(dibromofluoromethyl)hexahydro-4,7-methanoisobenzofuran-1,3-dione stereoisomer CAS 21902-82-9
| CAS No. | 21902-82-9 |
| Molecular Formula | C10H8Br3FO3 |
| Molecular Weight | 434.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Bromo-6-(dibromofluoromethyl)hexahydro-4,7-methanoisobenzofuran-1,3-dione stereoisomer (CAS 21902-82-9), molecular formula C10H8Br3FO3 and molecular weight 434.88 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-Bromo-6-(dibromofluoromethyl)hexahydro-4,7-methanoisobenzofuran-1,3-dione stereoisomer (C10H8Br3FO3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 434.88 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C10H8Br3FO3 |
| Molecular Weight | 434.88 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1963 |
| Halogen Content | F/Br-containing |
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Recommended Standards
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- 5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1072152-34-1)
- N-[(1E)-1-{N'-[(1Z)-(4-chlorophenyl)methylidene]hydrazinecarbonyl}-2-[(4-methylpyrimidin-2-yl)amino]eth-1-en-1-yl]benzamide (CAS 306976-29-4)
- 3-(1-Fluorocyclobutyl)propan-1-ol (CAS 1584139-27-4)
- Methyl 6-methylpyridine-2-carboximidoate (CAS 129821-92-7)
- 3-[(2,5-Difluorophenyl)methoxy]cyclobutan-1-amine Hydrochloride, cis (CAS 1807940-88-0)
- N-Desisopropyl Pentisomide (CAS 106132-93-8)
- (R)-7-Bromo-2,3-dihydrobenzofuran-3-amine (CAS 1213092-51-3)
- 2,2-Dimethyl-1-morpholin-4-ylpropan-1-one (CAS 70414-49-2)
- 4-((4,6-Dimethylpyrimidin-2-yl)carbamoyl)-5-methylisoxazole-3-carboxylic acid (CAS 339012-78-1)
- 3-Amino-N,N-diethyl-4-(morpholin-4-yl)benzene-1-sulfonamide (CAS 22745-68-2)
- 5-Bromo-6-chloro-1H-indole-7-carboxylic acid (CAS 1196051-70-3)
- Tirzepatide Impurity 23 X TFA Salt (CAS CATO-C4X-324023)
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