4,4′-Diclorobifenilo - 100 ug/mL en isooctano , CAS No.2050-68-2

CAS: 2050-68-2 Cat. No.: P128417 Fórmula: C₁₂H₈Cl₂ Peso molecular: 223.1 Beilstein Registry Number: 2044700 Número EC: 218-095-4

GRADE & PURITY 100 ug/mL in Isooctane

Synonyms

4,4'-diclorobifenilo|2050-68-2|p,p-Dcbp|p,p'-diclorobifenilo|4,4'-DICLORO-1,1'-BIFENILO|1,1'-bifenilo, 4,4'-dicloro-|PCB 15|bifenilo, 4,4'-dicloro-|1-cloro-4-(4-clorofenil)benceno|4,4'-dicloro-bifenilo|UNII-DOF6S5DT2R|DOF6S5DT2R|NSC 1141|EINECS 2

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4,4'-diclorobifenilo | 2050-68-2 | p,p-Dcbp | p,p'-diclorobifenilo | 4,4'-DICLORO-1,1'-BIFENILO | 1,1'-bifenilo, 4,4'-dicloro- | PCB 15 | bifenilo, 4,4'-dicloro- | 1-cloro-4-(4-clorofenil)benceno | 4,4'-dicloro-bifenilo | UNII-DOF6S5DT2R | DOF6S5DT2R | NSC 1141 | EINECS 2

Especificaciones y pureza

100 ug/mL en isooctano

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

Pubchem Sid

528759453

Sonrisas canónicas

C1=CC(=CC=C1C2=CC=C(C=C2)Cl)Cl

IUPAC Name

1-chloro-4-(4-chlorophenyl)benzene

InChIKey

YTBRNEUEFCNVHC-UHFFFAOYSA-N

INCHI

1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Isómeros SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Cl)Cl

Peso molecular

223.1

Beilstein

2044700

Reaxy-Rn

2044700

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044700&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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 223.090 g/mol
• XLogP3: 5.600
• 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: 145.000
• 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