![[Hydroxy-(2,4-dinitrobenzenesulfonyloxy)iodo] benzene , CAS No.389614-53-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
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[Hydroxy-(2,4-dinitrobenzenesulfonyloxy)iodo] benzene , CAS No.389614-53-3
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Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Names and Identifiers
| Canonical Smiles | C1=CC=C(C=C1)I(O)OS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
|---|---|
| IUPAC Name | [hydroxy(phenyl)-lambda3-iodanyl] 2,4-dinitrobenzenesulfonate |
| InChIKey | RZPUKSKGAKGPRU-UHFFFAOYSA-N |
| INCHI | 1S/C12H9IN2O8S/c16-13(9-4-2-1-3-5-9)23-24(21,22)12-7-6-10(14(17)18)8-11(12)15(19)20/h1-8,16H |
| Molecular Weight | 468.180 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 468.180 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 467.912 Da |
| Monoisotopic Mass | 467.912 Da |
| Topological Polar Surface Area | 164.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 563.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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