≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships FedEx DG Service 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488181680 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181680 |
| Canonical Smiles | C1=CC(=CC=C1[N+](=O)[O-])I |
| IUPAC Name | 1-iodo-4-nitrobenzene |
| InChIKey | SCCCFNJTCDSLCY-UHFFFAOYSA-N |
| INCHI | 1S/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H |
| Isomeric SMILES | C1=CC(=CC=C1[N+](=O)[O-])I |
| WGK Germany | 3 |
| UN Number | 2811 |
| Molecular Weight | 249.01 |
| Beilstein | 5253 |
| Reaxy-Rn | 1100378 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100378&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Iodobenzenes Aryl iodides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - C-nitro compound - Organic 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 - Organoiodide - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2608011 | Certificate of Analysis | Jan 13, 2026 | I107038 |
| G2524053 | Certificate of Analysis | Jul 30, 2025 | I107038 |
| L2123130 | Certificate of Analysis | Jun 09, 2025 | I107038 |
| L2123549 | Certificate of Analysis | Jun 09, 2025 | I107038 |
| L2123550 | Certificate of Analysis | Jun 09, 2025 | I107038 |
| J2123306 | Certificate of Analysis | Apr 03, 2025 | I107038 |
| J2123307 | Certificate of Analysis | Apr 03, 2025 | I107038 |
| E2409086 | Certificate of Analysis | Sep 21, 2023 | I107038 |
| D2117179 | Certificate of Analysis | May 08, 2021 | I107038 |
| D2412098 | Certificate of Analysis | May 08, 2021 | I107038 |
| Solubility | Insoluble in water. |
|---|---|
| Sensitivity | Light sensitive. |
| Boil Point(°C) | 289 °C/772 mmHg |
| Melt Point(°C) | 171-173°C |
| Molecular Weight | 249.010 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 248.929 Da |
| Monoisotopic Mass | 248.929 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 126.000 |
| 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. Jiasheng Wang, Ying Zhang, Xiaonan Xu, Ming Bao. (2023) Oxygen Vacancy-Rich Ni–CeO2 Heterojunction Catalyst for Hydrogenating Halogenated Nitroarenes with High Activity and Selectivity. ACS Applied Materials & Interfaces, [PMID:36637974] [10.1021/acsami.2c21272] |
| 2. Xiaonan Duan, Jiabin Yin, Mengmeng Huang, Peixia Wang, Jisong Zhang. (2022) Hydrogenation kinetics of halogenated nitroaromatics over Pt/C in a continuous Micro-packed bed reactor. CHEMICAL ENGINEERING SCIENCE, [PMID:] [10.1016/j.ces.2022.117483] |
| 3. Shuchang Wu, Guodong Wen, Yang Su, Xiaoli Pan, Hua Yan, Jiangyong Diao, Hongyang Liu. (2021) Bottom-Up Approach Derived Iron and Nitrogen Cofunctionalized Carbon as Efficient Renewable Catalyst for Selective Reduction of Nitroarenes. Journal of Physical Chemistry C, [PMID:] [10.1021/acs.jpcc.1c00620] |
| 4. Hongbo Yu, Weiqiang Tang, Kaijie Li, Shuangliang Zhao, Hongfeng Yin, Shenghu Zhou. (2019) Enhanced Catalytic Performance for Hydrogenation of Substituted Nitroaromatics over Ir-Based Bimetallic Nanocatalysts. ACS Applied Materials & Interfaces, [PMID:30674185] [10.1021/acsami.8b19056] |
| 5. Zeng Yan, Wang Yanhua, Xu Yicheng, Song Ying, Jiang Jingyang, Jin Zilin. (2012) Pd Nanoparticles in the Thermoregulated Ionic Liquid and Organic Biphasic System: An Efficient and Recyclable Catalyst for Heck Reaction. CATALYSIS LETTERS, 143 (2): (200-205). [PMID:] [10.1007/s10562-012-0919-9] |
| 6. Qingshan Zhao, Dejian Xu, Libo Wang, Shihao Cui, Qinlian Liu, Xuan Han, Zhiyuan Wang, Hui Ning, Mingbo Wu. (2025) A core-shell confinement strategy towards single-atom Fe-N/S-C bifunctional catalyst for selective nitroarene reduction and olefin epoxidation. JOURNAL OF ALLOYS AND COMPOUNDS, [PMID:] [10.1016/j.jallcom.2025.178488] |
| 7. Yaqi Qu, Hualiang An, Xinqiang Zhao, Yanji Wang. (2024) Insight into the roles of HEPES and ethanol in one-pot preparation of ZrO2@Pt catalyst for efficient selective hydrogenation of nitrobenzene. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.153949] |
| 8. Fengliang Cao, Wanxin Ni, Qingshan Zhao, Libo Wang, Song Xue, Yanpeng Li, Debin Kong, Mingbo Wu, Linjie Zhi. (2024) Precisely manipulating the local coordination of cobalt single-atom catalyst boosts selective hydrogenation of nitroarenes. APPLIED CATALYSIS B-ENVIRONMENTAL, [PMID:] [10.1016/j.apcatb.2024.123762] |
| 9. Jiayi Li, Shiwei Wang, Zhihao Yu, Haojian Zhang, Lin Zhu, Chunzheng Wu, Hongbo Yu. (2025) Catalytic Enhancement Through Interfacial Engineering: Ir-MoOx Nanocrystals on Silica for Nitroaromatic Hydrogenation. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [PMID:] [10.1021/acs.iecr.5c00455] |
