| Pubchem Sid | 488185272 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185272 |
| Sonrisas canónicas | C1=CC(=CC=C1C#N)I |
| IUPAC Name | 4-iodobenzonitrile |
| InChIKey | XOKDXPVXJWTSRM-UHFFFAOYSA-N |
| INCHI | 1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H |
| Isómeros SMILES | C1=CC(=CC=C1C#N)I |
| WGK Alemania | 3 |
| Número ONU | 3439 |
| Peso molecular | 229.02 |
| Beilstein | 9(3)1445 |
| Reaxy-Rn | 2041519 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041519&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 |
|---|---|---|---|
 E2431264 | Certificate of Analysis | Mar 11, 2026 | I103578 |
| H1823116 | Certificate of Analysis | Oct 21, 2025 | I103578 |
| H1823115 | Certificate of Analysis | Oct 14, 2025 | I103578 |
| K2301184 | Certificate of Analysis | Aug 11, 2025 | I103578 |
| D23142349 | Certificate of Analysis | Jan 09, 2025 | I103578 |
| E2431265 | Certificate of Analysis | May 13, 2024 | I103578 |
| E2431266 | Certificate of Analysis | May 13, 2024 | I103578 |
| E2431267 | Certificate of Analysis | May 13, 2024 | I103578 |
| E2431263 | Certificate of Analysis | May 13, 2024 | I103578 |
| J2409020 | Certificate of Analysis | May 13, 2024 | I103578 |
| A2619096 | Certificate of Analysis | May 13, 2024 | I103578 |
| K2525167 | Certificate of Analysis | May 13, 2024 | I103578 |
| L2103168 | Certificate of Analysis | Sep 18, 2023 | I103578 |
| L2103167 | Certificate of Analysis | Sep 18, 2023 | I103578 |
| L2103169 | Certificate of Analysis | Sep 18, 2023 | I103578 |
| I1511209 | Certificate of Analysis | Feb 03, 2023 | I103578 |
| D2323860 | Certificate of Analysis | Aug 05, 2021 | I103578 |
| Solubilidad | Insoluble in water. |
|---|---|
| Sensibilidad | Light sensitive. |
| Punto de fusión (°C) | 127°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 | 127.000 |
| 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 |
| 1. Jianqiang Zhang, Yongsheng Peng, Wenguang Leng, Yanan Gao, Feifei Xu, Jinling Chai. (2016) Nitrogen ligands in two-dimensional covalent organic frameworks for metal catalysis. CHINESE JOURNAL OF CATALYSIS, [PMID:] [10.1016/S1872-2067(15)61050-6] |
