PCB No 101 - analytical standard , CAS No.37680-73-2

CAS: 37680-73-2 Cat. No.: P115153 Fórmula: C₁₂H₅Cl₅ Peso molecular: 326.43 Beilstein Registry Number: 2507418 Número CE: 621-393-0

GRADE & PURITY Analytical standard

Synonyms

PCB 101 | PCB No 101 | DTXCID6018304 | SCHEMBL811509 | 2,2',4,5,5'Pentachlorobiphenyl | 2,2',4,5,5'-PENTACHLOROBIPHENYL | PD162576 | 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene | AKOS015903436 | K 101 | PCB-101 | PCB No 101, analytical standard | LAHWLE

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

PCB 101 | PCB No 101 | DTXCID6018304 | SCHEMBL811509 | 2,2',4,5,5'Pentachlorobiphenyl | 2,2',4,5,5'-PENTACHLOROBIPHENYL | PD162576 | 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene | AKOS015903436 | K 101 | PCB-101 | PCB No 101, analytical standard | LAHWLE

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Analytical standard

Nomes e identificadores

• Pubchem Sid: 528755107
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528755107
• Sorrisos canónicos: C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl
• IUPAC Name: 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene
• InChIKey: LAHWLEDBADHJGA-UHFFFAOYSA-N
• INCHI: 1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
• SMILES isoméricas: C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl
• WGK Alemanha: 3
• Número UN: 3432
• Peso molecular: 326.43
• Beilstein: 2507418
• Reaxy-Rn: 2507418
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2507418&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
• Descrição: 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: Not available

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 ação

Propriedades químicas e físicas

• Peso molecular: 326.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 325.88 Da
• Monoisotopic Mass: 323.883 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 259.000
• 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

Referências

1. 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]

2. Cuizhong Zhang, Hongjie Liu, Wanting Nong, Jinyun Peng, Liwei Wang, Liya Zhou.  (2022)  A photoelectrochemical aptasensor based on promising Z‑scheme for monitoring 3,3′,4,4′-tetrachlorobiphenyl in coral reef fish.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2022.131979]

3. 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]

4. 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]