1-Benzenesulfonyl-4-chloro-2-iodo-7-azaindole CAS 940948-30-1
| CAS No. | 940948-30-1 |
| Molecular Formula | C13H8ClIN2O2S |
| Molecular Weight | 418.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-Benzenesulfonyl-4-chloro-2-iodo-7-azaindole (CAS 940948-30-1) is a high-purity analytical reference standard with the molecular formula C13H8ClIN2O2S and a molecular weight of 418.64 g/mol.
Structurally, 1-Benzenesulfonyl-4-chloro-2-iodo-7-azaindole (C13H8ClIN2O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine/iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 418.64 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C13H8ClIN2O2S |
| Molecular Weight | 418.64 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl/I-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 6-Chloro-3-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1638768-21-4)
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- 1-(6-(Trifluoromethyl)pyridin-2-yl)cyclopropan-1-amine dihydrochloride (CAS 1384265-58-0)
- 5-bromopyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid (CAS 2815498-71-4)
- 2-(3-Bromophenyl)-5,5-diethylmorpholine (CAS 1281630-53-2)
- Methyl 1-benzyl-1H-pyrrole-3-carboxylate (CAS 18159-18-7)
- Isoescin IB (CAS 219944-46-4)
- 2-(Piperidin-4-ylmethoxy)pyrazine (CAS 1250125-99-5)
- Ethyl 5-ethyl-3-hydroxypyrazine-2-carboxylate (CAS 1269027-90-8)
- [[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate (CAS 1987945-06-1)
- (6-Amino-2,3-dimethylphenyl)dimethylphosphine oxide (CAS 2595158-92-0)
- Tirzepatide Impurity 10 (CAS CATO-C4X-324010)
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