4,4′-Dibromobiphenyl - ≥98% , CAS No.92-86-4

CAS: 92-86-4 Cat. No.: D111307 Summenformel: C₁₂H₈Br₂ Molekulargewicht: 312 Beilstein Registry Number: 2044701 EG-Nummer: 202-198-6

GRADE & PURITY ≥98%

Synonyms

PBB 15 | AS-11941 | AI3-17378 | EINECS 202-198-6 | 4,4'-Dibromo-1,1'-biphenyl # | 1, 4,4'-dibromo- | MFCD00000101 | PBB-No. 15 | Q-101202 | EN300-18480 | 4,4'-Dibromodiphenyl | 4',4-dibromobiphenyl | 4,4''''-Dibromo-Biphenyl | 4,4'-DIBROMOBIPHENYL | 4,4'-

Storage

Protected from light,Room temperature

Shipped In

Normal

Übersicht

4,4′-Dibromobiphenyl has been used to prepare 3,7-dibromodibenzothiophene-5-dioxide and 4,4′-dibromobiphenyl-3-sulfonic acid by using chlorosulfonic acid.

Specifications

Synonyme

PBB 15 | AS-11941 | AI3-17378 | EINECS 202-198-6 | 4,4'-Dibromo-1,1'-biphenyl # | 1, 4,4'-dibromo- | MFCD00000101 | PBB-No. 15 | Q-101202 | EN300-18480 | 4,4'-Dibromodiphenyl | 4',4-dibromobiphenyl | 4,4''''-Dibromo-Biphenyl | 4,4'-DIBROMOBIPHENYL | 4,4'-

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488180294

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180294

Kanonisches Lächeln

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

IUPAC Name

1-bromo-4-(4-bromophenyl)benzene

InChIKey

HQJQYILBCQPYBI-UHFFFAOYSA-N

INCHI

1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Isomere SMILES

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

WGK Deutschland

2

Molekulargewicht

312

Beilstein

2044701

Reaxy-Rn

2044701

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044701&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Ebene5 Brominated biphenyls
          • Ebene6 Polybrominated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Empfindlichkeit: Light sensitive.
• Flammpunkt (°F): 100 °C
• Flammpunkt (°C): 100°C
• Siedepunkt (°C): 355-360°C
• Schmelzpunkt (°C): 166-169°C
• Molekulargewicht: 312.000 g/mol
• XLogP3: 5.700
• 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: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 92-86-4, the molecular formula is C12H8Br2, and the molecular weight is 312 g/mol. InChIKey HQJQYILBCQPYBI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.