PCB No 156(Aroclor 1242)solution - analytical standard, 100ug/mL in methanol , CAS No.53469-21-9

CAS: 53469-21-9 Cat. No.: P118402 Summenformel: C₁₂H₆Cl₄ Molekulargewicht: 292.00 EG-Nummer: 625-559-3

GRADE & PURITY Analytical standard, 100ug/mL in methanol

Synonyms

2,2',4,4'-TETRACHLOROBIPHENYL|2437-79-8|PCB 47|1,1'-Biphenyl, 2,2',4,4'-tetrachloro-|2,4,2',4'-Tetrachlorobiphenyl|Biphenyl, 2,2',4,4'-tetrachloro-|2,2',4,4'-Tetrachlorodiphenyl|2,2',4,4'-Tetrachloro-1,1'-biphenyl|EINECS 219-444-3|2,4-dichloro-1-(2,4-dich

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

2,2',4,4'-TETRACHLOROBIPHENYL | 2437-79-8 | PCB 47 | 1,1'-Biphenyl, 2,2',4,4'-tetrachloro- | 2,4,2',4'-Tetrachlorobiphenyl | Biphenyl, 2,2',4,4'-tetrachloro- | 2,2',4,4'-Tetrachlorodiphenyl | 2,2',4,4'-Tetrachloro-1,1'-biphenyl | EINECS 219-444-3 | 2,4-dichloro-1-(2,4-dich

Spezifikationen & Reinheit

analytical standard, 100ug/mL in methanol

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528771225

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771225

Kanonisches Lächeln

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

IUPAC Name

2,4-dichloro-1-(2,4-dichlorophenyl)benzene

InChIKey

QORAVNMWUNPXAO-UHFFFAOYSA-N

INCHI

1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H

Isomere SMILES

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

WGK Deutschland

WGK 3

UN-Nummer

1230

Verpackungsgruppe

II

Molekulargewicht

292.00

Reaxy-Rn

2052543

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052543&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Ebene5 Chlorinated biphenyls
          • Ebene6 Polychlorinated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 292.000 g/mol
• XLogP3: 6.300
• 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