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

CAS: 2051-24-3 Cat. No.: P115165 分子式: C₁₂Cl₁₀ 分子量: 498.66 Beilstein Registry Number: 2065289 EC番号: 218-115-1

グレード＆純度 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

仕様

同義語

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, もっと見る

仕様と純度

analytical standard

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

名前と識別子

パブケム・シド

528770279

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

2

UN番号

3215

包装グループ

II

分子量

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 引火点（°C）: >100°C
• 分子量: 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