2,4'-diclorobifenilo - 100 ug/mL en isooctano , CAS No.34883-43-7

CAS: 34883-43-7 Cat. No.: D128661 Fórmula: C₁₂H₈Cl₂ Peso molecular: 223.1 Número EC: 684-162-3

GRADE & PURITY 100 ug/mL in Isooctane

Synonyms

3-05-00-01739 (Beilstein Handbook Reference) | PCB No. 8 10 microg/mL in Isooctane | 1,1'-Biphenyl, 2,4'-dichloro- | 2,4/'-Dichlorobiphenyl | 1-chloro-2-(4-chlorophenyl)benzene | E78465 | DTXSID0022511 | UFNIBRDIUNVOMX-UHFFFAOYSA- | BDBM50410488 | UFNIBRD

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-05-00-01739 (Beilstein Handbook Reference) | PCB No. 8 10 microg/mL in Isooctane | 1,1'-Biphenyl, 2,4'-dichloro- | 2,4/'-Dichlorobiphenyl | 1-chloro-2-(4-chlorophenyl)benzene | E78465 | DTXSID0022511 | UFNIBRDIUNVOMX-UHFFFAOYSA- | BDBM50410488 | UFNIBRD

Especificaciones y pureza

100 ug/mL en isooctano

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 528755335
• Sonrisas canónicas: C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)Cl
• IUPAC Name: 1-chloro-2-(4-chlorophenyl)benzene
• InChIKey: UFNIBRDIUNVOMX-UHFFFAOYSA-N
• INCHI: 1S/C12H8Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H
• Isómeros SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)Cl
• Peso molecular: 223.1
• Reaxy-Rn: 1946417
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1946417&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Chlorinated biphenyls
          • Level6 Polychlorinated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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: monochlorobenzenes - dichlorobiphenyl

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

Objetivos asociados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 223.090 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 222 Da
• Monoisotopic Mass: 222 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 173.000
• 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

Referencias

1. Zhen Song, Huina Zhou, Zhenzhen Liu, Mengying Xia, Qianqian Lv, Yi Yuan, Minghua Lu.  (2025)  MOF-on-MOF derived nitrogen-doped carbon-graphitic carbon/carbon nanotubes as solid-phase microextraction coating for extraction of polychlorinated biphenyls.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.114818]

2. Dandan Li, Jun Zhu, Man Wang, Wentao Bi, Xiaohua Huang, David Da Yong Chen.  (2017)  Extraction of trace polychlorinated biphenyls in environmental waters by well-dispersed velvet-like magnetic carbon nitride nanocomposites.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:28249718] [10.1016/j.chroma.2017.02.048]