2,2',5,5'-Tetrachlorobiphenyl (2,2′,5,5′-PCB) - analytical standard , CAS No.35693-99-3

CAS: 35693-99-3 Cat. No.: P115148 Formula: C₁₂H₆Cl₄ Peso molecolare: 291.99 Beilstein Registry Number: 2053828 Numero EC: 621-615-6

GRADE & PURITY Analytical standard

Synonyms

CCRIS 6155 | PCB 52 | PCB-52 | TETRACHLOROBIPHENYL, 2,2',5,5'- | CHEBI:34206 | 2,5,2',5'-Tetrachlorobiphenyl | 2,5,2',5'-Tetrachloro-Biphenyl | Q27115903 | PCB No. 52 100 microg/mL in Hexane | PCB No. 52 10 microg/mL in Isooctane | 1,4-dichloro-2-(2,5-dic

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Panoramica

Polychlorinated biphenyls (PCBs) are groups of chemical compounds which are persistent in the environment and are considered highly toxic to humans and animals. PCB No 52 may be used for environmental analysis and precise quality control of food and feed.

Specifications

Sinonimi

CCRIS 6155 | PCB 52 | PCB-52 | TETRACHLOROBIPHENYL, 2,2',5,5'- | CHEBI:34206 | 2,5,2',5'-Tetrachlorobiphenyl | 2,5,2',5'-Tetrachloro-Biphenyl | Q27115903 | PCB No. 52 100 microg/mL in Hexane | PCB No. 52 10 microg/mL in Isooctane | 1,4-dichloro-2-(2,5-dic

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice,FedEx DG Service

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Standard analitico

Nomi e identificatori

• Pubchem Sid: 508807595
• Sorrisi canonici: C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl
• IUPAC Name: 1,4-dichloro-2-(2,5-dichlorophenyl)benzene
• InChIKey: HCWZEPKLWVAEOV-UHFFFAOYSA-N
• INCHI: 1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H
• Isomeri SMILES: C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl
• Peso molecolare: 291.99
• Beilstein: 2053828
• Reaxy-Rn: 2053828
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2053828&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Chlorinated biphenyls
• Direct Parent: Polychlorinated biphenyls
• Alternative Parents: Dichlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Polychlorinated biphenyl - 1,4-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: 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: dichlorobenzene - tetrachlorobiphenyl

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in ethanol, acetone, acetonitrile, and oils. Insoluble in water.
• Punto di infiammabilità (°C): -12°C
• Peso molecolare: 292.000 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 291.919 Da
• Monoisotopic Mass: 289.922 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 209.000
• 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

Riferimenti

1. Ting Pan, Xikun Chen, Chunmiao Kong, Dandan Gao, Wanjing Liu, Hongping Liao, Muhammad Junaid, Jun Wang.  (2023)  Single and combined toxicity of polystyrene nanoplastics and PCB-52 to the aquatic duckweed Spirodela polyrhiza.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:37619732] [10.1016/j.scitotenv.2023.166482]

2. Shuo Wang, Pengfei Li, Yehong Han, Haiyan Liu, Hongyuan Yan.  (2022)  Selective enrichment and determination of polychlorinated biphenyls in milk by solid-phase microextraction using molecularly imprinted phenolic resin fiber coating.  ANALYTICA CHIMICA ACTA,      [PMID:36089327] [10.1016/j.aca.2022.340328]

3. Wenchao Jia, Xiangying Jin, Yuhua Wu, Danping Xie, Wenhua Yin, Bo Zhao, Zhonghui Huang, Lijun Liu, Yanyan Yang, Tonghui Cao, Xidan Feng, Sheng Chang.  (2022)  Amplification of fluorescence polarization signal based on specific recognition of aptamers combined with quantum quenching effect for ultrasensitive and simple detection of PCB-77.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:35550993] [10.1016/j.saa.2022.121341]

4. Xiaowan Zhang, Dan Li, Mengyuan Li, Peige Qin, Shiping Zhu, Yanmei Gao, Mengyao Mu, Ning Zhang, Youmei Wang, Minghua Lu.  (2022)  Flower-like Co3O4/C3N5 composite as solid-phase microextraction coating for high-efficiency adsorption and preconcentration of polycyclic aromatic hydrocarbons and polychlorinated biphenyls in water.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.136293]

5. Xiaowan Zhang, Lizhen Han, Mengyuan Li, Peige Qin, Dan Li, Qian Zhou, Minghua Lu, Zongwei Cai.  (2021)  Nitrogen-rich carbon nitride as solid-phase microextraction fiber coating for high-efficient pretreatment of polychlorinated biphenyls from environmental samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:34749185] [10.1016/j.chroma.2021.462655]

6. Cuizhong Zhang, Peican Chen, Liya Zhou, Jinyun Peng.  (2021)  Photoelectrochemical detection for 3,3′,4,4′-tetrachlorobiphenyl in fish based on synergistic effects by Schottky junction and sensitization.  FOOD CHEMISTRY,      [PMID:34274703] [10.1016/j.foodchem.2021.130490]

7. 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]

8. Guanglong Chen, Ting Pan, Dandan Gao, Hongping Liao, Jun Wang.  (2024)  Enhanced competitiveness of Spirodela polyrhiza in co-culture with Salvinia natans under combined exposure to polystyrene nanoplastics and polychlorinated biphenyls.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:39414046] [10.1016/j.scitotenv.2024.176870]

9. Zhen Song, Huina Zhou, Zhenzhen Liu, Mengying Xia, Qianqian Lv, Yi Yuan, Minghua Lu.  (2025)  MOF-on-MOF derived nitrogen-doped carbon-graphitic carbon/carbon nanotubes as solid-phase microextraction coating for extraction of polychlorinated biphenyls.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.114818]

10. Dandan Li, Jun Zhu, Man Wang, Wentao Bi, Xiaohua Huang, David Da Yong Chen.  (2017)  Extraction of trace polychlorinated biphenyls in environmental waters by well-dispersed velvet-like magnetic carbon nitride nanocomposites.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:28249718] [10.1016/j.chroma.2017.02.048]