PCB No 209 solution - analytical standard , CAS No.2051-24-3

CAS: 2051-24-3 Cat. No.: P115165 Formula: C₁₂Cl₁₀ Molecular Weight: 498.66 Beilstein Registry Number: 2065289 EC Number: 218-115-1

GRADE & PURITY Analytical standard

Synonyms

PCB No. 209|2,2',3,3',4,4', 5,5',6,6'-Decachlorobiphenyl|DECACHLOROBIPHENYL|1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene|Biphenyl, decachloro-|Decachloro-1,1'-biphenyl|PCB 209|2,2',3,3',4,4',5,5',6,6'-Decachloro-1,1'-biphenyl|PCB No 209|2,3,4,5,6,2',3',4',5',6'-Decachloro-Biphenyl|Perchlorobiphenyl|1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decachloro-|2,2',3,3',4,4',5,5',6,6'-PCB|2,2',3,3',4,4',5,5',6,6'-decachlorobiphenyl

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

PCB No. 209 | 2,2',3,3',4,4', 5,5',6,6'-Decachlorobiphenyl | DECACHLOROBIPHENYL | 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene | Biphenyl, decachloro- | Decachloro-1,1'-biphenyl | PCB 209 | 2,2',3,3',4,4',5,5',6,6'-Decachloro-1,1'-biphenyl | PCB No 209 | 2,3,4,5,6,2',3',4',5',6'-Decachloro-Biphenyl | Perchlorobiphenyl | 1, Show more

Specifications & Purity

analytical standard

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

Analytical standard

Names and Identifiers

Pubchem Sid

528770279

Canonical Smiles

C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl

IUPAC Name

1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene

InChIKey

ONXPZLFXDMAPRO-UHFFFAOYSA-N

INCHI

1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16

Isomeric SMILES

C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl

WGK Germany

2

UN Number

3215

Packing Group

II

Molecular Weight

498.66

Beilstein

2065289

Reaxy-Rn

2065289

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2065289&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: Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Polychlorinated biphenyl - 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: pentachlorobenzenes - polychlorobiphenyl

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): >100°C
• Molecular Weight: 498.600 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 497.683 Da
• Monoisotopic Mass: 493.689 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 326.000
• 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