2,2′-Dibromobiphenyl - ≥99% , CAS No.13029-09-9

CAS: 13029-09-9 Cat. No.: D398244 Formula: C₁₂H₈Br₂ Peso molecolare: 312 Numero EC: 625-732-3

GRADE & PURITY ≥99%

Synonyms

AC-28773 | 2,2/'-Dibromobiphenyl | AKOS004910067 | InChI=1/C12H8Br2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8 | 1-bromo-2-(2-bromophenyl)benzene | 2,2'-Dibromo-1,1'-biphenyl | 2,2''''-Dibromo-Biphenyl | 2,2'-Dibromobiphenyl | 2,2'-Dibromo-biphenyl | 2,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AC-28773 | 2,2/'-Dibromobiphenyl | AKOS004910067 | InChI=1/C12H8Br2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8 | 1-bromo-2-(2-bromophenyl)benzene | 2,2'-Dibromo-1,1'-biphenyl | 2,2''''-Dibromo-Biphenyl | 2,2'-Dibromobiphenyl | 2,2'-Dibromo-biphenyl | 2,

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 504755645
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755645
• Sorrisi canonici: C1=CC=C(C(=C1)C2=CC=CC=C2Br)Br
• IUPAC Name: 1-bromo-2-(2-bromophenyl)benzene
• InChIKey: DRKHIWKXLZCAKP-UHFFFAOYSA-N
• INCHI: 1S/C12H8Br2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
• Isomeri SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2Br)Br
• WGK Germania: 3
• Numero UN: 3077
• Gruppo di imballaggio: III
• Peso molecolare: 312
• Reaxy-Rn: 2047232
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047232&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Brominated biphenyls
          • Level6 Polybrominated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Brominated biphenyls
• Direct Parent: Polybrominated biphenyls
• Alternative Parents: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Polybrominated biphenyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine atom.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in toluene
• Punto di fusione (°C): 78-82°C
• Peso molecolare: 312.000 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 311.897 Da
• Monoisotopic Mass: 309.899 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 161.000
• 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