PCB(Aroclor1248)solution - analytical standard, 100ug/mL in methanol , CAS No.12672-29-6

CAS: 12672-29-6 Cat. No.: P115160 分子式: C₁₂H₆Cl₄ 分子量: 292.00 EC番号: 623-778-9

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

Synonyms

3,3',5,5'-TETRACHLOROBIPHENYL|33284-52-5|Kanechlor 400|3,5,3',5'-Tetrachlorobiphenyl|3,3',5,5'-Tetrachlorodiphenyl|1,1'-Biphenyl, 3,3',5,5'-tetrachloro-|KC 400|12737-87-0|12672-29-6|AROCLOR 1248|3,3',5,5'-Tetrachloro-1,1'-biphenyl|PCB 80|Biphenyl, 3,3',5,

Storage

Room temperature

Shipped In

FedEx DG Service

概要

Product introduction:
Aroclor 1248, an environmental pollutant, is a complex mixture of polychlorinated biphenyl (PCB) congeners, prepared by the chlorination of biphenyl.

Application:

Aroclor 1248 may be used as a certified reference standard for the quantification of polychlorinated biphenyls (PCBs) in environmental matrices and transformer oil samples using chromatography techniques.

Specifications

同義語

3,3',5,5'-TETRACHLOROBIPHENYL | 33284-52-5 | Kanechlor 400 | 3,5,3',5'-Tetrachlorobiphenyl | 3,3',5,5'-Tetrachlorodiphenyl | 1,1'-Biphenyl, 3,3',5,5'-tetrachloro- | KC 400 | 12737-87-0 | 12672-29-6 | AROCLOR 1248 | 3,3',5,5'-Tetrachloro-1,1'-biphenyl | PCB 80 | Biphenyl, 3,3',5,

仕様と純度

analytical standard, 100ug/mL in methanol

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: 528771226
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/528771226
• カノニカル・スマイル: C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl
• IUPAC Name: 1,3-dichloro-5-(3,5-dichlorophenyl)benzene
• InChIKey: UTMWFJSRHLYRPY-UHFFFAOYSA-N
• INCHI: 1S/C12H6Cl4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6H
• 異性体SMILES: C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl
• UN番号: 2315
• 包装グループ: II
• 分子量: 292.00
• Reaxy-Rn: 1964690
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1964690&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: 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
• 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: 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

関連ターゲット（非人間）

Ttr Transthyretin (14 Activities)

Discover Target: Ttr

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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: 189.000
• 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

参考文献

1. Xiangli Zheng, Hongli Li, Fangquan Xia, Dong Tian, Xiaoxia Hua, Xueying Qiao, Changli Zhou.  (2016)  An Electrochemical Sensor for Ultrasensitive Determination the Polychlorinated Biphenyls.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2016.02.115]