Determine the necessary mass, volume, or concentration for preparing a solution.
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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180139 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180139 |
| Kanonisches Lächeln | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-] |
| IUPAC Name | 1,2,3,4,5-pentachloro-6-nitrobenzene |
| InChIKey | LKPLKUMXSAEKID-UHFFFAOYSA-N |
| INCHI | 1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9 |
| Isomere SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-] |
| WGK Deutschland | 2 |
| UN-Nummer | 3077 |
| Verpackungsgruppe | III |
| Molekulargewicht | 295.33 |
| Beilstein | 1914324 |
| Reaxy-Rn | 1914324 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1914324&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 |
| Klasse | 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 |
| Beschreibung | 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 | Organochlorine fungicides |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Datum | Artikel |
|---|---|---|---|
| Certificate of Analysis | Apr 25, 2026 | Q108787 | |
| Certificate of Analysis | Jun 25, 2025 | Q108787 | |
| Certificate of Analysis | Jun 25, 2025 | Q108787 | |
| Certificate of Analysis | Jun 25, 2025 | Q108787 | |
| Certificate of Analysis | Jun 25, 2025 | Q108787 | |
| Certificate of Analysis | Jun 25, 2025 | Q108787 | |
| Certificate of Analysis | Jun 25, 2025 | Q108787 | |
| Certificate of Analysis | Oct 19, 2024 | Q108787 | |
| Certificate of Analysis | Oct 17, 2024 | Q108787 | |
| Certificate of Analysis | Oct 17, 2024 | Q108787 | |
| Certificate of Analysis | Oct 17, 2024 | Q108787 | |
| Certificate of Analysis | Jul 17, 2024 | Q108787 | |
| Certificate of Analysis | Jul 17, 2024 | Q108787 | |
| Certificate of Analysis | Jul 06, 2024 | Q108787 | |
| Certificate of Analysis | Jul 06, 2024 | Q108787 | |
| Certificate of Analysis | Feb 14, 2023 | Q108787 | |
| Certificate of Analysis | Feb 14, 2023 | Q108787 | |
| Certificate of Analysis | May 05, 2022 | Q108787 |
| Siedepunkt (°C) | 328°C |
|---|---|
| Schmelzpunkt (°C) | 146°C |
| Molekulargewicht | 295.300 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 294.834 Da |
| Monoisotopic Mass | 292.837 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 219.000 |
| 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. Hao Zhu, Wendi Cao, Yicai Huang, Niel A. Karrow, Zhangping Yang. (2023) Involvement of Pyocyanin in Promoting LPS-Induced Apoptosis, Inflammation, and Oxidative Stress in Bovine Mammary Epithelium Cells. Agriculture-Basel, 13 (12): (2192). [PMID:] [10.3390/agriculture13122192] |
| 2. Shuang Gao, Lei Zong, Yuhang Zhang, Yang Zhang, Xinyu Guo, Guanhua Guo, Lixia Zhao, Fei Ye, Ying Fu. (2023) Antifungal pentachloronitrobenzene/hydroxypropyl-beta-cyclodextrin inclusion complex nanofibers by electrospun with no polymer: Fabrication and characterization. Journal of Cleaner Production, [PMID:] [10.1016/j.jclepro.2023.137499] |
| 3. Guoqiang Fan, Tianzhu Shen, Kun Jia, Xiaoping Xiao, Zhanfeng Wu, Fanghua Gong, Huiqiang Lu. (2022) Pentachloronitrobenzene Reduces the Proliferative Capacity of Zebrafish Embryonic Cardiomyocytes via Oxidative Stress. Toxics, 10 (6): (299). [PMID:35736907] [10.3390/toxics10060299] |
| 4. Jing Neng, Caiping Liao, Yazhi Wang, Yan Wang, Kai Yang. (2022) Rapid and Sensitive Detection of Pentachloronitrobenzene by Surface-Enhanced Raman Spectroscopy Combined with Molecularly Imprinted Polymers. Biosensors-Basel, 12 (2): (52). [PMID:35200313] [10.3390/bios12020052] |
| 5. Jianping Ye, Qing Zhou, Zhihong Yan, Kang Li. (2021) Preparation of multicolor luminescence Schiff-base compound based on solvent control and its application in the detection of pentachloronitrobenzene. ANALYTICA CHIMICA ACTA, [PMID:34482876] [10.1016/j.aca.2021.338794] |
| 6. Xinyue Zhao, Xiaomeng Zhang, Mingwei Qin, Yuzhu Song, Jinyang Zhang, Xueshan Xia, Xiuming Cui, Kai Gao, Qinqin Han. (2020) Determination of carbendazim by aptamer-based fluorescence resonance energy transfer (FRET). ANALYTICAL LETTERS, [PMID:] [10.1080/00032719.2020.1849250] |
| 7. Qingju Liu, Ping Han, Hui Wang, Wenwen Gong, Xiaoyuan Feng. (2019) Antibody-free colorimetric detection of chlorothalonil in cucumber via the inhibition of an enzyme-triggered reaction. RSC Advances, 9 (18): (9893-9898). [PMID:35520916] [10.1039/C9RA00291J] |
| 8. Bin Shu, Zhaoguang Yang, Hsiaowan Lee, Bo Qiu, Haipu Li. (2015) Development of ultrasound-assisted emulsification microextraction based on solidification of a floating organic droplet for determination of organochlorine pesticides in water samples. JOURNAL OF SEPARATION SCIENCE, 39 (4): (776-783). [PMID:26631905] [10.1002/jssc.201501002] |
| 9. Ying Wang, Siqi Li, Jing Sun, Yufang Li, Yan Hu, Chuanpu Shen, Feilong Liu, Shiwen Guo, Feiran Chen, Qiangjian Liu, Jingjing Ma, Fucai Ren, Furong Yang, Qunlin Zhang, Jingyuan Song, Tianyi Xin, Xiangdong Pu. (2024) Comprehensive assessment for species authenticity, pesticide residual, and fungal contamination characteristics of Panax herbal tea. LWT-FOOD SCIENCE AND TECHNOLOGY, [PMID:] [10.1016/j.lwt.2024.116688] |
| 10. Yi Ma, Xiaofang Liu, Jia Zheng, Mengxia Huang, Jingzhou Hou, Huibo Luo, Changjun Hou, Danqun Huo. (2024) Detection of organophosphorus pesticides by a fluorescent sensing assay coupled with enzyme inhibition. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2024.106139] |
| 11. Xiang Shen, Zheshan Duan, Xike Tian, Hongtao Zheng, Dongsheng Wang, Xubo Gao. (2025) The vertical distribution, sources and ecological risks of residual organochlorine pesticides in sediments of the North China's largest freshwater lake. SCIENCE OF THE TOTAL ENVIRONMENT, [PMID:41240894] [10.1016/j.scitotenv.2025.180881] |