≥99% 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.
descripción：
el 3-yodobenzonitrilo es un nitrilo aromático halogenado. Su entalpía molar de formación estándar (ρ° = 0,1MPa) se determinó por calorimetría de combustión.
aplicación：
el 3-yodobenzonitrilo puede utilizarse como reactivo de partida en la síntesis de tetracloroisoftalo-[14C]-nitrilo (TCIN). También puede utilizarse en la preparación de:
1-(3-yodofenil)-3-{2-[4-(trifluorometil)-1-piperidinil]etil}-2-imidazolidinona；derivado de piperidina；anilida de aminoácido quiral
| Pubchem Sid | 504757274 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757274 |
| Sonrisas canónicas | C1=CC(=CC(=C1)I)C#N |
| IUPAC Name | 3-iodobenzonitrile |
| InChIKey | BGARPMGQRREXLN-UHFFFAOYSA-N |
| INCHI | 1S/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4H |
| Isómeros SMILES | C1=CC(=CC(=C1)I)C#N |
| WGK Alemania | 3 |
| Número ONU | 3439 |
| Peso molecular | 229.02 |
| Beilstein | 9(4)1035 |
| Reaxy-Rn | 1931577 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931577&ln= |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Iodobenzenes Aryl iodides Nitriles Organopnictogen compounds Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 L2418357 | Certificate of Analysis | Sep 01, 2026 | I103577 |
| L2201858 | Certificate of Analysis | Sep 13, 2024 | I103577 |
| L2201859 | Certificate of Analysis | Sep 13, 2024 | I103577 |
| L2201860 | Certificate of Analysis | Sep 13, 2024 | I103577 |
| L2201861 | Certificate of Analysis | Sep 13, 2024 | I103577 |
| L2201864 | Certificate of Analysis | Sep 13, 2024 | I103577 |
| D1403040 | Certificate of Analysis | Jan 19, 2022 | I103577 |
| Solubilidad | Soluble in Methanol |
|---|---|
| Sensibilidad | Light sensitive. |
| Punto de inflamación (°F) | 230 °F |
| Punto de inflamación (°C) | 110°C |
| Punto de fusión (°C) | 41°C |
| Peso molecular | 229.020 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 228.939 Da |
| Monoisotopic Mass | 228.939 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 135.000 |
| 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 |
