2-(2,5-Dibromobenzenesulfonyl)acetonitrile CAS 568553-71-9
| CAS No. | 568553-71-9 |
| Molecular Formula | C8H5Br2NO2S |
| Molecular Weight | 339.00 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 2-(2,5-Dibromobenzenesulfonyl)acetonitrile.
2-(2,5-Dibromobenzenesulfonyl)acetonitrile (CAS 568553-71-9) is a high-purity analytical reference standard with the molecular formula C8H5Br2NO2S and a molecular weight of 339.00 g/mol.
Structurally, 2-(2,5-Dibromobenzenesulfonyl)acetonitrile (C8H5Br2NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 339.00 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C8H5Br2NO2S |
| Molecular Weight | 339.00 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Dibromobenzenesulfonyl Standards
Recommended Standards
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- Avibactam Impurity 76 (CAS CATO-C4X-134876)
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