Theophylline Impurity 8 CAS 5309-70-6
| CAS No. | 5309-70-6 |
| Molecular Formula | C4H5BrO2 |
| Molecular Weight | 164.99 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies Theophylline Impurity 8 (CAS 5309-70-6), a certified reference material (molecular formula C4H5BrO2, MW 164.99 g/mol) for analytical method development and quality control.
Based on its molecular formula C4H5BrO2, Theophylline Impurity 8 contains a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 164.99 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
Physical & Chemical Properties
| Molecular Formula | C4H5BrO2 |
| Molecular Weight | 164.99 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | Br-containing |
Related Theophylline Standards
- Theophylline Impurity 2 (CAS 6136-37-4)
- Theophylline EP Impurity B (CAS 1076-22-8)
- Theophylline Impurity 43 (CAS 63125-83-7)
- Theophylline Impurity 3 (CAS 40012-14-4)
- Theophylline EP Impurity D (CAS 6736-40-9)
- Theophylline Impurity 27 (CAS 15837-08-8)
- Theophylline-1,3-15N2,13C (CAS 1246816-25-0)
- Theophylline-1,3-15N2-2-13C, 98% (CP) (CAS 84718-95-6)
Recommended Standards
- rel-(1R,2S)-2-Bromocyclopropane-1-carboxylic acid (CAS 60212-40-0)
- 2-propenoic acid, 2-bromo-, methyl ester 4519-46-4 InChI=1/C4H5BrO2/c1-3(5)4(6)7-2/h1H2,2H methyl 2-bromoacrylate (CAS 4519-46-4)
- 4-Bromodihydrofuran-3(2H)-one (CAS 204926-50-1)
- .alpha.-Bromo-.gamma.-butyrolactone .alpha.-Bromobutyric acid, .gamma.-lactone .alpha.-Bromobutyrolactone 2(3H)-Furanone, 3-bromodihydro- 2-Bromo-.gamma.-butyrolactone 2-Bromo-4-butanolide 2-Bromobutyrolactone 3-Bromo-2-furanone 5061-21-2 NSC-56959 NSC56959 (CAS 5061-21-2)
- 2-Cyanoethyl acrylate (CAS 106-71-8)
- 9-Bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CAS 1780617-23-3)
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