Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-] |
|---|---|
| IUPAC Name | (4-nitrophenyl)-phenyliodanium;trifluoromethanesulfonate |
| InChIKey | OPSOSRFTIUMCJF-UHFFFAOYSA-M |
| INCHI | 1S/C12H9INO2.CHF3O3S/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;2-1(3,4)8(5,6)7/h1-9H;(H,5,6,7)/q+1;/p-1 |
| Isomeric SMILES | C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-] |
| WGK Germany | 3 |
| PubChem CID | 16727017 |
| Molecular Weight | 475.18 |
| Beilstein | 10500200 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Trifluoromethanesulfonates Nitroaromatic compounds Iodobenzenes Aryl iodides Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Not available |
| Substituents | Nitrobenzene - Nitroaromatic compound - Trifluoromethanesulfonate - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Trihalomethane - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Organoiodide - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Light Sensitive |
| Melt Point(°C) | 200 °C |
| Molecular Weight | 475.180 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 474.92 Da |
| Monoisotopic Mass | 474.92 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 372.000 |
| 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 | 2 |