PCB No 209 solution - analytical standard , CAS No.2051-24-3

CAS: 2051-24-3 Cat. No.: P115165 Peso molecular: 498.66 Beilstein Registry Number: 2065289 Número EC: 218-115-1

GRADE & PURITY Analytical standard

Synonyms

PCB No. 209 | 2,2',3,3',4,4', 5,5',6,6'-Decachlorobiphenyl | HY-115898 | PCB No. 209 100 microg/mL in Cyclohexane | DECACHLOROBIPHENYL | 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene | DTXCID2027541 | Biphenyl, decachloro- | Decachloro-1,1'

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

PCB No. 209 | 2, 2', 3, 3', 4, 4', 5, 5', 6, 6'-Decachlorobiphenyl | HY-115898 | PCB No. 209 100 microg/mL in Cyclohexane | DECACHLOROBIPHENYL | 1, 2, 3, 4, 5-pentachloro-6-(2, 3, 4, 5, 6-pentachlorophenyl)benzene | DTXCID2027541 | Biphenyl, decachloro- | Decachloro-1, 1'

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
• WGK Alemania: 2
• Número ONU: 3215
• Grupo de embalaje: II
• Peso molecular: 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Chlorinated biphenyls
          • Level6 Polychlorinated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°C): >100°C
• Peso molecular: 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

Referencias

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]