≥98% 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.
This product is a useful benzyne precursor.
| Pubchem Sid | 488184830 |
|---|---|
| Canonical Smiles | C1=CC=C(C=C1)[I+]C2=CC=CC=C2C(=O)[O-] |
| IUPAC Name | 2-phenyliodoniobenzoate |
| InChIKey | LUGVQQXOGHCZNN-UHFFFAOYSA-N |
| INCHI | 1S/C13H9IO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H |
| Isomeric SMILES | C1=CC=C(C=C1)[I+]C2=CC=CC=C2C(=O)[O-] |
| PubChem CID | 73883 |
| Molecular Weight | 324.12 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | Halobenzoic acids |
| Alternative Parents | 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Iodobenzenes Aryl iodides Carboxylic acid salts Monocarboxylic acids and derivatives Organooxygen compounds Organoiodides Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2310272 | Certificate of Analysis | Jan 20, 2026 | D353522 |
| K2203391 | Certificate of Analysis | Aug 11, 2025 | D353522 |
| K2203394 | Certificate of Analysis | Aug 11, 2025 | D353522 |
| K2203560 | Certificate of Analysis | Aug 11, 2025 | D353522 |
| Solubility | Soluble in methanol. |
|---|---|
| Molecular Weight | 324.110 g/mol |
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 323.965 Da |
| Monoisotopic Mass | 323.965 Da |
| Topological Polar Surface Area | 40.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 231.000 |
| 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 |
