100 ug/mL in Isooctane 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 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Kanonisches Lächeln | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl |
|---|---|
| IUPAC Name | 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene |
| InChIKey | ONXPZLFXDMAPRO-UHFFFAOYSA-N |
| INCHI | 1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16 |
| Isomere SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl |
| WGK Deutschland | 2 |
| UN-Nummer | 3215 |
| Verpackungsgruppe | II |
| Molekulargewicht | 498.66 |
| Beilstein | 2065289 |
| Reaxy-Rn | 2065289 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2065289&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 | Biphenyls and derivatives |
| Intermediate Tree Nodes | Chlorinated biphenyls |
| Direct Parent | Polychlorinated biphenyls |
| Alternative Parents | Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Polychlorinated biphenyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety. |
| External Descriptors | pentachlorobenzenes - polychlorobiphenyl |
| Flammpunkt (°C) | >100°C |
|---|---|
| Molekulargewicht | 498.600 g/mol |
| XLogP3 | 8.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 497.683 Da |
| Monoisotopic Mass | 493.689 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 326.000 |
| 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. Zhaochao Deng, Songtao Hu, Leiming Tang, Lingbo Jiang, Junyu He, Keyu Shen, Yongjiu Xu, Rijin Jiang, Tiejun Li, Chunlei Chen, Bairu Chen, Hanghai Zhou, Dongdong Zhang, Jiawang Chen, Chunfang Zhang. (2022) Carbazole and polyhalogenated carbazoles in the marine environment around the Zhoushan Archipelago: Distribution characteristics, environmental behavior, and sources. JOURNAL OF HAZARDOUS MATERIALS, [PMID:36152549] [10.1016/j.jhazmat.2022.129999] |
| 2. Lin Yuan, Qiang Fu, Maojuan Zhou, Yunqian Ma, Lihua Zang, Yingjian Qin, Dandan Ji, Fengshan Zhang. (2021) Highly sensitive and selective detection of PCB 77 using an aptamer-catalytic hairpin assembly in an aquatic environment. RSC Advances, 11 (10): (5506-5511). [PMID:35423071] [10.1039/D0RA10285G] |
| 3. Kunfeng Zhang, Sheng Chang, Qi Zhang, Yunsong Bai, Enrui Wang, Yueting Fan, Xiang Tu, Qing Fu, Liangliang Wei, Yanling Yu. (2024) Occurrence, source modeling, influencing factors and exposure assessment of polycyclic aromatic hydrocarbons in water sources: A mega-study from mainland China. Environmental Technology & Innovation, [PMID:] [10.1016/j.eti.2024.103634] |
| 4. Linfeng Chen, Xike Tian, Yong Li, Chao Yang, Yunjie Huang, Yulun Nie. (2021) Rapid and sensitive screening of multiple polycyclic aromatic hydrocarbons by a reusable fluorescent sensor array. JOURNAL OF HAZARDOUS MATERIALS, [PMID:34785436] [10.1016/j.jhazmat.2021.127694] |
| 5. Jianqiao Xu, Junyan Wei, Jiayu Zhang, Zhicheng Xing, Zunyao Wang, Ruijuan Qu. (2024) Effect of Dissolved Organic Matter on the Photodegradation of Decachlorobiphenyl (PCB-209) in Heterogeneous Systems: Experimental Analysis and Excited-State Theory Calculations. ENVIRONMENTAL SCIENCE & TECHNOLOGY, [PMID:39088507] [10.1021/acs.est.4c02816] |
| 6. Jianqiao Xu, Junyan Wei, Ruixue Guo, Shengnan Zhang, Xiaolei Teng, Zunyao Wang, Ruijuan Qu. (2024) Environmental transformation and hazards of decachlorobiphenyl on suspended particles under sunlight irradiation. JOURNAL OF HAZARDOUS MATERIALS, [PMID:38762988] [10.1016/j.jhazmat.2024.134630] |
| 7. Jianqiao Xu, Xinyuan Wei, Junyan Wei, Mengqiang He, Xiaolei Teng, Zunyao Wang, Ruijuan Qu. (2025) Photodegradation of PCB-209 on suspended particles: Discrepancy in mechanism of direct dechlorination and active species-mediated indirect dechlorination reactions. WATER RESEARCH, [PMID:40354772] [10.1016/j.watres.2025.123797] |
| 8. 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] |
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