4,5,6,7-Tetraiodo-3H-benzo[c][1,2]oxathiol-3-one 1,1-dioxide CAS 1745-83-1
| CAS No. | 1745-83-1 |
| Molecular Formula | C7I4O4S |
| Molecular Weight | 687.76 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.
4,5,6,7-Tetraiodo-3H-benzo[c][1,2]oxathiol-3-one 1,1-dioxide (CAS 1745-83-1) is a high-purity analytical reference standard with the molecular formula C7I4O4S and a molecular weight of 687.76 g/mol.
Structurally, 4,5,6,7-Tetraiodo-3H-benzo[c][1,2]oxathiol-3-one 1,1-dioxide (C7I4O4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution, an aromatic ring system. 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 687.76 g/mol, it falls into the 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.
Physical & Chemical Properties
| Molecular Formula | C7I4O4S |
| Molecular Weight | 687.76 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | I-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
- 5-[(3aR,8aR)-Tetrahydro-2,2-dimethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]-5H-dibenz[b,f]azepine (CAS 1092695-14-1)
- 5-((3aS,8aS)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine (CAS 2411176-84-4)
- Methyl 5-[(E)-2-[4-(4-chlorophenoxy)-3-(2,6-dichlorophenyl)-[1,2]oxazolo[4,5-c]pyridin-7-yl]ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate (CAS 338773-21-0)
- Acetylaconitine (CAS 77181-26-1)
- 2-(2-Aminoethyl)quinoline (CAS 104037-38-9)
- 2,5-Dichloro-3,6-difluoroiodobenzene (CAS 1263376-34-6)
- 1H-Indole-1-propanoic acid, 7-amino-, methyl ester (CAS 1239711-15-9)
- 3-Amino-2,6-dibromo-5-ethoxypyridine (CAS 1000018-10-9)
- 7-Bromo-4-hydroxy-1,5-naphthyridine-3-carboxylic acid (CAS 97267-59-9)
- 5-Chlorobenzothiazole (CAS 2786-51-8)
- 1,5,6-Trimethyl-1H-indazole-7-carbaldehyde (CAS 2768872-71-3)
- 1-Hexyl-3-methylimidazolium Tetrafluoroborate (CAS 244193-50-8)
- Thallium hydrotris[3-(2-pyridyl)pyrazol-1-yl]borate (CAS 165257-90-9)
- D-Ala18-Tirzepatide (CAS CATO-CPTD788916)
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