PCB15 in Octane - 10ug/g , CAS No.37680-66-3

CAS: 37680-66-3 Cat. No.: P119851 Fórmula: C12H8Cl2 Peso molecular: 223.1 Beilstein Registry Number: 2044700 Número EC: 634-863-5

GRADE & PURITY 10ug/g

Synonyms

2,2',4-TRICHLOROBIPHENYL|37680-66-3|1,1'-Biphenyl, 2,2',4-trichloro-|PCB 17|2,4-dichloro-1-(2-chlorophenyl)benzene|UNII-YA6CZ8O8B4|YA6CZ8O8B4|1,1'-Biphenyl,2,2',4-trichloro-|2,2',4-Trichloro-1,1'-biphenyl|DTXSID1073492|PCB No 17|SCHEMBL2934558|CHEMBL17972

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

2,2',4-TRICHLOROBIPHENYL | 37680-66-3 | 1,1'-Biphenyl, 2,2',4-trichloro- | PCB 17 | 2,4-dichloro-1-(2-chlorophenyl)benzene | UNII-YA6CZ8O8B4 | YA6CZ8O8B4 | 1,1'-Biphenyl,2,2',4-trichloro- | 2,2',4-Trichloro-1,1'-biphenyl | DTXSID1073492 | PCB No 17 | SCHEMBL2934558 | CHEMBL17972

Especificaciones y pureza

10ug/g

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice,FedEx DG Service

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

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C(=C1)C2=C(C=C(C=C2)Cl)Cl)Cl
• IUPAC Name: 2,4-dichloro-1-(2-chlorophenyl)benzene
• InChIKey: YKKYCYQDUUXNLN-UHFFFAOYSA-N
• INCHI: 1S/C12H7Cl3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H
• Isómeros SMILES: C1=CC=C(C(=C1)C2=C(C=C(C=C2)Cl)Cl)Cl
• Peso molecular: 223.1
• Beilstein: 2044700
• Reaxy-Rn: 2105357
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2105357&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: Dichlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Polychlorinated biphenyl - 1,3-dichlorobenzene - 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: 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 acción

Propiedades químicas y físicas

• Peso molecular: 257.500 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 255.961 Da
• Monoisotopic Mass: 255.961 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 207.000
• 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. 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]

2. 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]

Preguntas frecuentes

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 37680-66-3, the molecular formula is C12H8Cl2, and the molecular weight is 223.1 g/mol. InChIKey YKKYCYQDUUXNLN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.