Determine the necessary mass, volume, or concentration for preparing a solution.
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CP, ≥98% CP 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 30 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180813 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180813 |
| Canonical Smiles | C1=CC(=CC(=C1)Cl)[N+](=O)[O-] |
| IUPAC Name | 1-chloro-3-nitrobenzene |
| InChIKey | KMAQZIILEGKYQZ-UHFFFAOYSA-N |
| INCHI | 1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H |
| Isomeric SMILES | C1=CC(=CC(=C1)Cl)[N+](=O)[O-] |
| WGK Germany | 3 |
| RTECS | CZ0940000 |
| UN Number | 1578 |
| Packing Group | II |
| Molecular Weight | 157.55 |
| Beilstein | 1907947 |
| Reaxy-Rn | 1907947 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907947&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 Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 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 - Organochloride - 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 | C-nitro compound |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | May 07, 2024 | C100472 | |
| Certificate of Analysis | May 07, 2024 | C100472 | |
| Certificate of Analysis | Mar 14, 2024 | C100472 | |
| Certificate of Analysis | Jan 03, 2024 | C100472 | |
| Certificate of Analysis | Feb 24, 2023 | C100472 | |
| Certificate of Analysis | Feb 24, 2023 | C100472 | |
| Certificate of Analysis | Feb 24, 2023 | C100472 | |
| Certificate of Analysis | Feb 24, 2023 | C100472 | |
| Certificate of Analysis | Jan 06, 2023 | C100472 |
| Solubility | Soluble in hot ethanol, chloroform, ether, carbon disulfide and glacial acetic acid, slightly soluble in cold ethanol, insoluble in water |
|---|---|
| Flash Point(°F) | 255.2 °F |
| Flash Point(°C) | 124 °C |
| Boil Point(°C) | 236°C |
| Melt Point(°C) | 46°C |
| Molecular Weight | 157.550 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 156.993 Da |
| Monoisotopic Mass | 156.993 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 134.000 |
| 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. Hongbo Yu, Shuibo Wang, Lin Zhu, Chunzheng Wu. (2023) One-pot synthesis of Pt@Sn core-shell nanocatalysts for the hydrogenation of halonitrobenzene to produce haloaniline with ultra-high selectivity. APPLIED SURFACE SCIENCE, [PMID:] [10.1016/j.apsusc.2023.158729] |
| 2. 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] |
| 3. Ziqi Sun, Meiling Qi. (2022) High separation performance of carbon dioxide-based poly(ether-carbonate) copolymer for gas chromatographic analyses. JOURNAL OF CHROMATOGRAPHY A, [PMID:36166885] [10.1016/j.chroma.2022.463493] |
| 4. Fan Yang, Hongbo Yu, Chunzheng Wu, Shiwei Wang, Tong Li, Hongfeng Yin. (2022) RhCu Bimetallic Nanoparticles in Hollow Carbon Spheres for Catalytic Halonitrobenzene Chemoselective Hydrogenation. ACS Applied Nano Materials, [PMID:] [10.1021/acsanm.2c02358] |
| 5. Yebin Zhou, Ling Li, Yi Liu, Hongzheng Wang, Zhenlong Feng, Feng Feng, Qunfeng Zhang, Wucan Liu, Wenfeng Han, Chunshan Lu, Xiaonian Li. (2022) Palladium Nanoparticles Inset into the Carbon Sphere with Robust Acid Resistance for Selective Hydrogenation of Chloronitrobenzene. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [PMID:] [10.1021/acs.iecr.1c04983] |
| 6. Hongbo Yu, Chunzheng Wu, Shiwei Wang, Tong Li, Hongfeng Yin. (2021) Transition Metal Oxide-Modified Ir Nanoparticles Supported on SBA-15 Silica for Selective Hydrogenation of Substituted Nitroaromatics. ACS Applied Nano Materials, [PMID:] [10.1021/acsanm.1c01164] |
| 7. Peng Zhang, Shaonan Xu, Yan Wang, Wei Zhang, Wenqing Li, Cundi Wei, Peiping Zhang, Shiding Miao. (2021) Fabrication of Pd/Mg2P2O7 via a Struvite-Template Way from Wastewater and Application as Chemoselective Catalyst in Hydrogenation of Nitroarenes. CHEMISTRY-A EUROPEAN JOURNAL, 27 (41): (10666-10676). [PMID:34009699] [10.1002/chem.202100684] |
| 8. Zechen Liang, Mingkai Zhang, Sai Zhang, Yongquan Qu. (2021) Electron-Enriched Pd Nanoparticles for Selective Hydrogenation of Halonitrobenzenes to Haloanilines. Catalysts, 11 (5): (543). [PMID:] [10.3390/catal11050543] |
| 9. Wei Lang, Gengjinsheng Cheng, Rongpeng Peng, Qian-Yong Cao. (2021) Rhodamine-anchored poly(norbornene) for fluorescent sensing of ATP. DYES AND PIGMENTS, [PMID:] [10.1016/j.dyepig.2021.109245] |
| 10. Pengchao Chen, Kaijie Li, Peijian Yan, Junyou Wang, Shenghu Zhou. (2021) Pd–FexOy Hybrid Nanoparticles Encaged Hollow Mesoporous Silica Nanoreactors for Reduction of Nitroarenes to Aminoarenes. Journal of Physical Chemistry C, [PMID:] [10.1021/acs.jpcc.0c11161] |
| 11. Yingzhang Shi, Huan Wang, Zhiwen Wang, Taikang Wu, Yujie Song, Binbin Guo, Ling Wu. (2020) Pt decorated hierarchical Sb2WO6 microspheres as a surface functionalized photocatalyst for the visible-light-driven reduction of nitrobenzene to aniline. Journal of Materials Chemistry A, 8 (36): (18755-18766). [PMID:] [10.1039/D0TA06099B] |
| 12. Xue Xiong, Meiling Qi. (2020) A novel column fabrication approach for capillary gas chromatography via a cross-linked organogel network with high stability and inertness. NEW JOURNAL OF CHEMISTRY, 44 (25): (10621-10627). [PMID:] [10.1039/D0NJ02185G] |
| 13. Yueling Cao, Kangkai Liu, Chen Wu, Hepeng Zhang, Qiuyu Zhang. (2020) In situ-formed cobalt embedded into N-doped carbon as highly efficient and selective catalysts for the hydrogenation of halogenated nitrobenzenes under mild conditions. APPLIED CATALYSIS A-GENERAL, [PMID:] [10.1016/j.apcata.2020.117434] |
| 14. Qiuyang Zhang, Caiyun Xu, Hongfeng Yin, Shenghu Zhou. (2019) Enhanced Catalytic Hydrogenation Performance of Rh-Co2O3 Heteroaggregate Nanostructures by in Situ Transformation of Rh@Co Core–Shell Nanoparticles. ACS Omega, [PMID:31858069] [10.1021/acsomega.9b03340] |
| 15. 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] |
| 16. Hongbo Yu, Weiqiang Tang, Kaijie Li, Hongfeng Yin, Shuangliang Zhao, Shenghu Zhou. (2018) Design of Cu-based intermetallic nanocrystals for enhancing hydrogenation selectivity. CHEMICAL ENGINEERING SCIENCE, [PMID:] [10.1016/j.ces.2018.11.024] |
| 17. Dongxing Zhen, Gaohong He, Xinlong Xu, Xiaoming Yan, Naixu Du, Xue Gong, Tiantian Li, Yan Dai, Xuemei Wu. (2018) Simultaneous enhancement of proton conductivity and methanol resistance of sulfonated poly(phthalazinone ether sulfone ketone)/superacid sulfated zirconia composite membranes for direct methanol fuel cells. JOURNAL OF APPLIED POLYMER SCIENCE, 135 (42): (46758). [PMID:] [10.1002/app.46758] |
| 18. Yanlong Chen, Wenfen Zhang, Yanhao Zhang, Zhifen Deng, Wenjie Zhao, Huifang Du, Xue Ma, Dan Yin, Fuwei Xie, Yu Chen, Shusheng Zhang. (2018) In situ preparation of core–shell magnetic porous aromatic framework nanoparticles for mixed–mode solid–phase extraction of trace multitarget analytes. JOURNAL OF CHROMATOGRAPHY A, [PMID:29735279] [10.1016/j.chroma.2018.04.039] |
| 19. Miaomiao Liu, Weiqiang Tang, Zhaohui Xie, Hongbo Yu, Hongfeng Yin, Yisheng Xu, Shuangliang Zhao, Shenghu Zhou. (2017) Design of Highly Efficient Pt-SnO2 Hydrogenation Nanocatalysts using Pt@Sn Core–Shell Nanoparticles. ACS Catalysis, [PMID:] [10.1021/acscatal.6b03109] |
| 20. Xinhuan Lu, Yang chen, Zhenshuang Zhao, Hao Deng, Dan Zhou, Changcheng Wei, Renfeng Nie, Qinghua Xia. (2016) Highly selective one-step hydrogenation of nitrobenzene to cyclohexylamine over the supported 10% Ni/carbon catalysts doped with 3‰ Rh. RSC Advances, 6 (19): (15354-15361). [PMID:] [10.1039/C5RA27202E] |
| 21. Liu Wen-na, Fan Jun, Lin Chun, Zheng Sheng-run, Zhang Wei-guang. (2014) Synthesis of a New Cyclosporine-based Stationary Phase and Separation Behaviors toward Aromatic Positional Isomers by High-Performance Liquid Chromatography. JOURNAL OF CHROMATOGRAPHIC SCIENCE, 53 (4): (548-553). [PMID:25038034] [10.1093/chromsci/bmu083] |
| 22. Junhua Kuang, Shuaishuai Zhang, Jia Yu, Yuting Zhang, Chun-Kuo Peng, Chen Zou, Jiaran Li, Li Peng, Lu Lin, Yan-Gu Lin, Pengbo Lyu, Shuliang Yang, Jian-Feng Li. (2024) Atomically dispersed iron sites from eco-friendly microbial mycelium as highly efficient hydrogenation catalyst. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:39395221] [10.1016/j.jcis.2024.09.250] |
| 23. Qianxi Wang, Yuyu Dai, Xueli Hong, Yunyang Hong, Rui Zhang, Xinhuan Yan. (2024) Facile preparation of Co/C catalysts encapsulated in carbon and selective hydrogenation in nitroaromatic hydrocarbons. NEW JOURNAL OF CHEMISTRY, 48 (17): (7639-7645). [PMID:] [10.1039/D4NJ00858H] |
| 24. Zitao Shen, Zhuo Wang, Pengfei Ye, Lihong Guo, Sheng Peng, Yuefan Liu, Yongsheng Cui, Juan Zheng, Gangfeng Ouyang. (2025) Highly hydrophobic calixarene polymers for efficient enrichment of polar nitrobenzene compounds. TALANTA, [PMID:39778492] [10.1016/j.talanta.2025.127555] |
| 25. Jia Xu, Tao Li, Wei E. Huang, Ning-Yi Zhou. (2024) Semi-rational design of nitroarene dioxygenase for catalytic ability toward 2,4-dichloronitrobenzene. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, [PMID:38709097] [10.1128/aem.01436-23] |
| 26. Mingyuan Jian, Kecan Dou, Deqiong Xie, Gaomei Tu, Weidong Zhu, Fumin Zhang. (2024) Synthesis of MXene supported Co nanoparticle catalyst for efficient catalytic transfer hydrogenation of nitro compounds with formic acid. NEW JOURNAL OF CHEMISTRY, [PMID:] [10.1039/D3NJ05864F] |
| 27. Tian Zhengbin, Deng Xiaohui, He Ping, Wang Guang-Hui. (2022) Atomic Pt anchored on hierarchically porous monolithic carbon nanowires as high-performance catalyst for liquid hydrogenation. Nano Research, 16 (4): (5880-5886). [PMID:] [10.1007/s12274-022-5118-4] |
| 28. Zhijun Li, Mingyang Zhang, Xiuli Dong, Siqi Ji, Lili Zhang, Leipeng Leng, Honghong Li, J. Hugh Horton, Qian Xu, Junfa Zhu. (2022) Strong electronic interaction of indium oxide with palladium single atoms induced by quenching toward enhanced hydrogenation of nitrobenzene. APPLIED CATALYSIS B-ENVIRONMENTAL, [PMID:] [10.1016/j.apcatb.2022.121462] |
| 29. Xue Xiong, Meiling Qi. (2018) Hexagonal boron nitride stationary phase for gas chromatography. JOURNAL OF CHROMATOGRAPHY A, [PMID:30100014] [10.1016/j.chroma.2018.07.008] |
| 30. 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] |
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