3-Bromo-3'-chloro-1,1'-biphenyl - ≥98% , CAS No.844856-42-4

CAS: 844856-42-4 Cat. No.: B405341 Peso molecular: 267.55

GRADE & PURITY ≥98%

Synonyms

SCHEMBL867900 | DTXSID301305139 | PS-11344 | XDPLWYUXKVCBFV-UHFFFAOYSA-N | 3-bromo-3'-chloro-1,1'-biphenyl | 1-(3-BROMOPHENYL)-3-CHLOROBENZENE | 3-BROMO-3'-CHLOROBIPHENYL | 3-bromo-3'-chloro-biphenyl | 3-BroMo-3-chloro-biphenyl | AKOS027445767 | AMY176 |

Storage

Room temperature

Specifications

Sinónimos

SCHEMBL867900 | DTXSID301305139 | PS-11344 | XDPLWYUXKVCBFV-UHFFFAOYSA-N | 3-bromo-3'-chloro-1, 1'-biphenyl | 1-(3-BROMOPHENYL)-3-CHLOROBENZENE | 3-BROMO-3'-CHLOROBIPHENYL | 3-bromo-3'-chloro-biphenyl | 3-BroMo-3-chloro-biphenyl | AKOS027445767 | AMY176 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488193039
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193039
• Sonrisas canónicas: C1=CC(=CC(=C1)Cl)C2=CC(=CC=C2)Br
• IUPAC Name: 1-bromo-3-(3-chlorophenyl)benzene
• InChIKey: XDPLWYUXKVCBFV-UHFFFAOYSA-N
• INCHI: 1S/C12H8BrCl/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H
• Isómeros SMILES: C1=CC(=CC(=C1)Cl)C2=CC(=CC=C2)Br
• Número ONU: 3152
• Grupo de embalaje: II
• Peso molecular: 267.55
• Reaxy-Rn: 22490455
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22490455&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorinated biphenyls
• Alternative Parents: Brominated biphenyls Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorinated biphenyl - Brominated biphenyl - Halobenzene - Chlorobenzene - Bromobenzene - Aryl halide - Aryl chloride - Aryl bromide - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Solubilidad: Soluble in Toluene
• Punto de fusión (°C): 41 °C
• Peso molecular: 267.550 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 265.95 Da
• Monoisotopic Mass: 265.95 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 183.000
• 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