≥96% 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504754296 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754296 |
| Canonical Smiles | C=CC1=CC(=CC=C1)[N+](=O)[O-] |
| IUPAC Name | 1-ethenyl-3-nitrobenzene |
| InChIKey | SYZVQXIUVGKCBJ-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6H,1H2 |
| Isomeric SMILES | C=CC1=CC(=CC=C1)[N+](=O)[O-] |
| Molecular Weight | 149.15 |
| Reaxy-Rn | 2042423 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042423&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 | Styrenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Styrene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - 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 |
|---|---|---|---|
 H2302193 | Certificate of Analysis | May 11, 2026 | N171094 |
| H2302739 | Certificate of Analysis | May 11, 2026 | N171094 |
| H2302936 | Certificate of Analysis | May 11, 2026 | N171094 |
| H2302948 | Certificate of Analysis | May 11, 2026 | N171094 |
| A2207095 | Certificate of Analysis | Oct 09, 2024 | N171094 |
| J2408512 | Certificate of Analysis | Sep 25, 2024 | N171094 |
| J2408513 | Certificate of Analysis | Sep 25, 2024 | N171094 |
| J2408514 | Certificate of Analysis | Sep 25, 2024 | N171094 |
| J2408515 | Certificate of Analysis | Sep 25, 2024 | N171094 |
| J2408531 | Certificate of Analysis | Sep 25, 2024 | N171094 |
| B2105471 | Certificate of Analysis | Dec 19, 2023 | N171094 |
| B2105469 | Certificate of Analysis | Dec 19, 2023 | N171094 |
| H2302939 | Certificate of Analysis | Jun 30, 2023 | N171094 |
| H2302942 | Certificate of Analysis | Jun 30, 2023 | N171094 |
| I2413109 | Certificate of Analysis | Jun 30, 2023 | N171094 |
| I2223324 | Certificate of Analysis | Sep 29, 2022 | N171094 |
| Molecular Weight | 149.150 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 149.048 Da |
| Monoisotopic Mass | 149.048 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 162.000 |
| 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. Lihua Zhu, Huan Zhang, Huaze Zhu, Huan Fu, Anna Kroner, Zhiqing Yang, Hengqiang Ye, Bing Hui Chen, Rafael Luque. (2022) Controlling nanostructures of PtNiCo/C trimetallic nanocatalysts and relationship of structure-catalytic performance for selective hydrogenation of nitroarenes. JOURNAL OF CATALYSIS, [PMID:] [10.1016/j.jcat.2022.08.012] |
| 2. Wei Haisheng, Song Huaxing, Ren Yujing, Yan Xiaorui, Fang Geqian, Wang Wenhua, Ren Wanzhong, Zhu Mingyuan, Lin Jian. (2022) Solvent-free synthesis of Co@NC catalyst with Co—N species as active sites for chemoselective hydrogenation of nitro compounds. Science China-Materials, 66 (1): (169-178). [PMID:] [10.1007/s40843-022-2108-4] |
| 3. Muhong Li, Shanyong Chen, Qike Jiang, Qingliang Chen, Xuan Wang, Yong Yan, Jian Liu, Changchang Lv, Weiping Ding, Xuefeng Guo. (2021) Origin of the Activity of Co–N–C Catalysts for Chemoselective Hydrogenation of Nitroarenes. ACS Catalysis, [PMID:] [10.1021/acscatal.0c05479] |
| 4. Du Xiaorui, Huang Yike, Pan Xiaoli, Han Bing, Su Yang, Jiang Qike, Li Mingrun, Tang Hailian, Li Gao, Qiao Botao. (2020) Size-dependent strong metal-support interaction in TiO2 supported Au nanocatalysts. Nature Communications, 11 (1): (1-8). [PMID:33199710] [10.1038/s41467-020-19484-4] |
| 5. Xin Wang, Yi-Fan Jiang, Ya-Nan Liu, An-Wu Xu. (2018) Erbium oxide as a novel support for palladium nanocatalysts with strong metal–support interactions: remarkable catalytic performance in hydrogenation reactions. NEW JOURNAL OF CHEMISTRY, 42 (24): (19901-19907). [PMID:] [10.1039/C8NJ05199B] |
| 6. Jing Li, Xiaorui Yan, Yujing Ren, Tiantian Liu, Kairui Li, Haisheng Wei. (2024) Synergy of metallic Co and Co-N species in highly dispersed Co based catalyst for enhanced nitroarene hydrogenation. FUEL, [PMID:] [10.1016/j.fuel.2024.132567] |
