PCB No 52 standard solution - 1000μg/ml transPermethrin , CAS No.35693-99-3

CAS: 35693-99-3 Cat. No.: P141196 Formula: C₁₂H₆Cl₄ Molecular Weight: 291.99 Beilstein Registry Number: 2053828 EC Number: 621-615-6

GRADE & PURITY 1000μg/ml transPermethrin

Synonyms

2,2',5,5'-TETRACHLOROBIPHENYL|35693-99-3|1,1'-Biphenyl, 2,2',5,5'-tetrachloro-|PCB 52|2,5,2',5'-Tetrachlorobiphenyl|TCBP|2,2',5,5'-TCB|2,3',5,6'-Tetrachlorobiphenyl|PCB No 52|2,2',5,5'-Tetrachloro-1,1'-biphenyl|CCRIS 6155|PCB-52|1,4-dichloro-2-(2,5-dichlo

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2,2',5,5'-TETRACHLOROBIPHENYL | 35693-99-3 | 1,1'-Biphenyl, 2,2',5,5'-tetrachloro- | PCB 52 | 2,5,2',5'-Tetrachlorobiphenyl | TCBP | 2,2',5,5'-TCB | 2,3',5,6'-Tetrachlorobiphenyl | PCB No 52 | 2,2',5,5'-Tetrachloro-1,1'-biphenyl | CCRIS 6155 | PCB-52 | 1,4-dichloro-2-(2,5-dichlo

Specifications & Purity

1000μg/ml transPermethrin

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Canonical Smiles

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

Isomeric SMILES

C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl

Molecular Weight

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
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Chlorinated biphenyls
          • Level6 Polychlorinated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°C): -12°C
• Molecular Weight: 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