4-Iodo-3-nitro-2-(trifluoromethoxy)pyridine-5-sulfonyl chloride CAS 1804738-62-2
| CAS No. | 1804738-62-2 |
| Molecular Formula | C6HClF3IN2O5S |
| Molecular Weight | 432.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Iodo-3-nitro-2-(trifluoromethoxy)pyridine-5-sulfonyl chloride (CAS 1804738-62-2), molecular formula C6HClF3IN2O5S and molecular weight 432.50 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-Iodo-3-nitro-2-(trifluoromethoxy)pyridine-5-sulfonyl chloride (C6HClF3IN2O5S) contains a carbohydrate-derived structure, an amide group, a sulfone group, fluorine/chlorine/iodine substitution. 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 432.50 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C6HClF3IN2O5S |
| Molecular Weight | 432.50 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/Cl/I-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Iodo Standards
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Recommended Standards
- 2-((4-Ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-phenoxyphenyl)acetamide (CAS 578753-06-7)
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- 4-tert-Butyl-N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)benzamide (CAS 866018-70-4)
- Mizolastine (CAS 108612-45-9)
- Ethyl 6,6-dimethyl-3-[(2-pyridinylcarbonyl)amino]-5,6-dihydropyrrolo[3,4-c]pyrazole-2(4H)-carboxylate (CAS 1041260-92-7)
- tert-Butyl (4,6-dichloropyridin-3-yl)carbamate (CAS 1211586-03-6)
- 1-(5-Chloro-2-iodophenyl)ethan-1-one (CAS 1685280-86-7)
- 1,8-Dimethyl-6-propylimidazo[1,5-d][1,2,4]triazin-4(3H)-one (CAS 84227-33-8)
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